A0A087YE41_POEFO Loading...

FERM domain-containing protein 5

May be involved in regulation of cell migration. May regulate cell-matrix interactions via its interaction with ITGB5 and modifying ITGB5 cytoplasmic tail interactions such as with FERMT2 and TLN1. May regulate ROCK1 kinase activity possibly involved in regulation of actin stress fiber formation.

AlphaFold DB , UniProt , Accession A0A087YE41, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 567 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.2	Very low	50	Low	249 Å²	249	134.5 Å²	134.5	100%	1.227	71%	0.711	S	S	*	*				0	104	0	-74.8	-178.5	142.9	0	0	108.6
2	S	38.8	Very low	53	Low	121 Å²	121	123.7 Å²	123.7	85%	0.846	65%	0.654	S	S	*	*			trans	-143.6	75.4	167.2	179.3	0	0	0	0	106.3	S4	S2-S4 PolarHBondContact O-N 3.08Å
3	S	38.7	Very low	55.9	Low	104 Å²	104	121.1 Å²	121.1	73%	0.727	64%	0.64	S	S	*	*			trans	-56.2	119.5	171.2	41.7	0	0	0	0	108.7	V5	S3-V5 PolarHBondContact O-N 3.28Å
4	S	43.4	Very low	58.5	Low	80 Å²	80	112.4 Å²	112.4	56%	0.559	60%	0.595	S	S	*	*			trans	-43.2	102	175.4	152.5	0	0	0	0	112.5	S2 R6	S2-S4 PolarHBondContact O-N 3.08Å; S4-R6 PolarHBondContact O-N 2.87Å
5	V	46.6	Very low	60.9	Low	124 Å²	124	106.5 Å²	106.5	75%	0.752	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	1.7	167.6	-176.3	0	0	0	0	111.4	S3	S3-V5 PolarHBondContact O-N 3.28Å
6	R	41	Very low	63.1	Low	232 Å²	232	99.9 Å²	99.9	88%	0.875	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-1.5	177.6	-73.4	-172.7	-179.9	-177.6	0.8	114.9	S4	S4-R6 PolarHBondContact O-N 2.87Å
7	S	47.2	Very low	65.1	Low	62 Å²	62	97.5 Å²	97.5	43%	0.434	51%	0.512	S	S	.	.	S	Bend	trans	-96.2	-10.6	-176	72.6	0	0	0	0	115.3
8	L	47	Very low	66.7	Low	123 Å²	123	92.2 Å²	92.2	64%	0.644	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-81.6	-16.8	-173.9	-68.8	166.3	0	0	0	113.9	R10	L8-R10 PolarHBondContact O-N 3.44Å
9	D	53	Low	68.1	Low	141 Å²	141	87.5 Å²	87.5	75%	0.754	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-81.9	10.8	177.9	-99.5	-16.8	0	0	0	114.3	R30	D9-R30 PolarHBondContact O-NH1 3.23Å
10	R	72	Confident	69.2	Low	156 Å²	156	85.2 Å²	85.2	59%	0.589	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-114.7	-0.3	-173.7	-76	-175.8	163.7	-165.7	-3	114.9	L8 R30	L8-R10 PolarHBondContact O-N 3.44Å; R10-R30 WeakPolarHBondContact O-CB 3.31Å; R10-R30 VanDerWaalsContact O-CG 3.28Å; R10-R30 WeakPolarHBondContact O-CG 3.47Å; R10-R30 PolarHBondContact O-N 3.11Å
11	E	83.8	Confident	70.1	Confident	88 Å²	88	83.4 Å²	83.4	41%	0.411	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	144.2	178.7	-68	178.4	-175.8	0	0	111.1	I28 Q29	E11-I28 CarbonylContact C-O 3.49Å; E11-I28 WeakPolarHBondContact CA-O 3.3Å; E11-Q29 VanDerWaalsContact CG-NE2 3.33Å; E11-Q29 PolarHBondContact OE1-NE2 3.49Å
12	C	85.8	Confident	72.6	Confident	4 Å²	4	73.7 Å²	73.7	3%	0.027	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	140.7	173.1	53.1	0	0	0	0	111	I28 P81 F83	C12-I28 PolarHBondContact N-O 2.81Å; C12-I28 WeakPolarHBondContact O-CG1 3.37Å; C12-I28 PolarHBondContact O-N 3.13Å; C12-I28 VanDerWaalsContact SG-CG1 3.59Å; C12-P81 HydrophobicContact CB-CB 3.96Å; C12-P81 HydrophobicContact CB-CG 3.7Å; C12-F83 HydrophobicContact CB-CE2 4.32Å
13	N	90.1	Very high	75.2	Confident	90 Å²	90	74.1 Å²	74.1	48%	0.481	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	132.2	175	-67.3	-14.5	0	0	0	109.7	T27 P82 F83	N13-T27 VanDerWaalsContact OD1-CG2 3.26Å; N13-T27 WeakPolarHBondContact OD1-CG2 3.35Å; N13-P82 HydrophobicContact CB-CB 4.32Å; N13-P82 WeakPolarHBondContact O-CA 3.13Å; N13-F83 PolarHBondContact O-N 3.46Å
14	C	92.4	Very high	77.8	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.3	176.5	-179.2	0	0	0	0	109.1	T25 C26 I28 F83 M85	C14-T25 WeakPolarHBondContact O-CA 3.49Å; C14-C26 PolarHBondContact N-O 3.31Å; C14-C26 PolarHBondContact O-N 3.13Å; C14-I28 HydrophobicContact CB-CD1 4.06Å; C14-I28 HydrophobicContact CB-CG1 4.18Å; C14-F83 WeakPolarHBondContact CA-O 3.35Å; C14-M85 VanDerWaalsContact SG-CE 3.5Å
15	T	95	Very high	80.3	Confident	24 Å²	24	71.4 Å²	71.4	15%	0.147	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.7	173.9	-58.9	0	0	0	0	108.6	E23 Y24 T25 F83 T84 M85	T15-E23 HydrophobicContact CG2-CB 3.99Å; T15-E23 HydrophobicContact CG2-CG 4.24Å; T15-Y24 WeakPolarHBondContact CA-O 3.5Å; T15-T25 PolarHBondContact OG1-OG1 3.22Å; T15-F83 PolarHBondContact N-O 2.87Å; T15-T84 WeakPolarHBondContact O-CA 3.14Å; T15-M85 PolarHBondContact O-N 3.35Å
16	V	96.1	Very high	82.5	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	116.4	175.6	-173	0	0	0	0	109.5	L18 Y24 L37 I41 M85 L87	V16-L18 HydrophobicContact CG1-CD2 4.47Å; V16-L18 PolarHBondContact O-N 3.36Å; V16-Y24 PolarHBondContact N-O 3.07Å; V16-Y24 PolarHBondContact O-N 2.97Å; V16-L37 HydrophobicContact CG2-CD1 4.19Å; V16-L37 HydrophobicContact CG2-CD2 4.02Å; V16-L37 HydrophobicContact CG2-CG 4.39Å; V16-I41 HydrophobicContact CB-CD1 3.88Å; V16-I41 HydrophobicContact CG1-CD1 3.78Å; V16-I41 HydrophobicContact CG2-CD1 3.81Å; V16-M85 WeakPolarHBondContact CA-O 3.41Å; V16-M85 HydrophobicContact CG2-CB 4.3Å; V16-L87 HydrophobicContact CG1-CB 4.28Å
17	R	96	Very high	84.9	Confident	60 Å²	60	59.3 Å²	59.3	23%	0.226	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	121.3	173	-174.6	168.7	170.4	166.5	0.3	109.8	D21 S22 M85 C86 L87	R17-D21 IonicContact CZ-OD1 2.7Å; R17-D21 VanDerWaalsContact CZ-OD1 3.28Å; R17-D21 IonicContact NE-OD1 2.79Å; R17-D21 PolarHBondContact NE-OD1 3.27Å; R17-D21 VanDerWaalsContact NH2-CG 3.3Å; R17-D21 IonicContact NH2-OD1 2.72Å; R17-D21 PolarHBondContact NH2-OD1 3.22Å; R17-D21 IonicContact NH2-OD2 3.28Å; R17-S22 WeakPolarHBondContact CA-O 3.15Å; R17-M85 PolarHBondContact N-O 2.97Å; R17-C86 CarbonylContact O-C 3.56Å; R17-C86 WeakPolarHBondContact O-CA 3.37Å; R17-L87 PolarHBondContact O-N 2.92Å
18	L	95.2	Very high	87	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.01	29%	0.287	C	S	.	.			trans	-79.8	-177.6	-178.1	-55.2	-172.5	0	0	0	111.1	V16 D20 D21 S22 I41 L45 L87 R88	V16-L18 HydrophobicContact CG1-CD2 4.47Å; V16-L18 PolarHBondContact O-N 3.36Å; L18-D20 WeakPolarHBondContact CB-OD1 3.23Å; L18-D21 PolarHBondContact O-N 2.86Å; L18-S22 WeakPolarHBondContact CD1-OG 3.37Å; L18-S22 PolarHBondContact N-O 2.91Å; L18-I41 HydrophobicContact CD2-CG2 3.92Å; L18-L45 HydrophobicContact CD1-CD2 3.93Å; L18-L45 HydrophobicContact CD1-CG 4.43Å; L18-L87 HydrophobicContact CD2-CB 4.23Å; L18-L87 HydrophobicContact CD2-CD2 4.2Å; L18-R88 PolarHBondContact O-NH1 3.43Å
19	L	93.1	Very high	89	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.01	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-22.8	-176.2	-80.6	164.2	0	0	0	113.2	D21 F53 V89 L107 L110 Q111 R114	L19-D21 VanDerWaalsContact C-N 3.26Å; L19-F53 HydrophobicContact CD1-CD1 3.92Å; L19-F53 HydrophobicContact CD1-CE1 3.69Å; L19-V89 HydrophobicContact CD1-CG2 4.45Å; L19-L107 HydrophobicContact CB-CD2 4.05Å; L19-L107 HydrophobicContact CD1-CB 3.82Å; L19-L107 HydrophobicContact CD1-CD2 4.09Å; L19-L107 HydrophobicContact CD1-CG 4.45Å; L19-L110 HydrophobicContact CB-CB 4.17Å; L19-L110 HydrophobicContact CB-CD1 4.26Å; L19-Q111 HydrophobicContact CD2-CB 3.9Å; L19-Q111 VanDerWaalsContact CD2-OE1 3.25Å; L19-R114 PolarHBondContact O-NH1 2.56Å; L19-R114 VanDerWaalsContact O-NH1 3.08Å; L19-R114 PolarHBondContact O-NH2 3.26Å
20	D	89.3	Confident	90.6	Very high	42 Å²	42	53 Å²	53	23%	0.225	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	8.2	173.5	65.2	-11.2	0	0	0	112.8	L18 S22 L110	L18-D20 WeakPolarHBondContact CB-OD1 3.23Å; D20-S22 VanDerWaalsContact CG-OG 3.31Å; D20-S22 PolarHBondContact O-N 2.85Å; D20-S22 WeakPolarHBondContact OD1-CB 3.45Å; D20-S22 PolarHBondContact OD1-N 3.43Å; D20-S22 PolarHBondContact OD1-OG 3.46Å; D20-S22 PolarHBondContact OD2-OG 3.22Å; D20-L110 HydrophobicContact CB-CD1 3.81Å
21	D	88.4	Confident	91.4	Very high	47 Å²	47	51 Å²	51	25%	0.251	26%	0.259	S	S	.	.	S	Bend	trans	67.8	5.9	-175.6	-63.2	-53.5	0	0	0	115.8	R17 L18 L19 R114	R17-D21 IonicContact CZ-OD1 2.7Å; R17-D21 VanDerWaalsContact CZ-OD1 3.28Å; R17-D21 IonicContact NE-OD1 2.79Å; R17-D21 PolarHBondContact NE-OD1 3.27Å; R17-D21 VanDerWaalsContact NH2-CG 3.3Å; R17-D21 IonicContact NH2-OD1 2.72Å; R17-D21 PolarHBondContact NH2-OD1 3.22Å; R17-D21 IonicContact NH2-OD2 3.28Å; L18-D21 PolarHBondContact O-N 2.86Å; L19-D21 VanDerWaalsContact C-N 3.26Å; D21-R114 VanDerWaalsContact CG-NH2 3.25Å; D21-R114 IonicContact OD1-CZ 3.94Å; D21-R114 IonicContact OD1-NH2 2.94Å; D21-R114 PolarHBondContact OD1-NH2 3.4Å; D21-R114 IonicContact OD2-NH2 3.86Å; D21-R114 PolarHBondContact OD2-NH2 3.38Å
22	S	92.1	Very high	91.8	Very high	45 Å²	45	47.4 Å²	47.4	32%	0.315	25%	0.245	S	C	.	.			trans	-68.2	157.9	166	71.3	0	0	0	0	111.3	R17 L18 D20	R17-S22 WeakPolarHBondContact CA-O 3.15Å; L18-S22 WeakPolarHBondContact CD1-OG 3.37Å; L18-S22 PolarHBondContact N-O 2.91Å; D20-S22 VanDerWaalsContact CG-OG 3.31Å; D20-S22 PolarHBondContact O-N 2.85Å; D20-S22 WeakPolarHBondContact OD1-CB 3.45Å; D20-S22 PolarHBondContact OD1-N 3.43Å; D20-S22 PolarHBondContact OD1-OG 3.46Å; D20-S22 PolarHBondContact OD2-OG 3.22Å
23	E	93.7	Very high	92.2	Very high	131 Å²	131	53.2 Å²	53.2	61%	0.612	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	120.9	179.6	-67.3	-170.9	165.7	0	0	110.8	T15	T15-E23 HydrophobicContact CG2-CB 3.99Å; T15-E23 HydrophobicContact CG2-CG 4.24Å
24	Y	93.6	Very high	92.3	Very high	42 Å²	42	49 Å²	49	17%	0.165	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	113	170.5	-174.6	-96.4	0	0	0	109.4	T15 V16 C26 L40 I41 H44	T15-Y24 WeakPolarHBondContact CA-O 3.5Å; V16-Y24 PolarHBondContact N-O 3.07Å; V16-Y24 PolarHBondContact O-N 2.97Å; Y24-C26 HydrophobicContact CD1-CB 4.49Å; Y24-C26 HydrophobicContact CE1-CB 3.8Å; Y24-L40 HydrophobicContact CE1-CD2 3.77Å; Y24-L40 HydrophobicContact CE1-CG 3.94Å; Y24-L40 WeakPolarHBondContact OH-CD2 3.35Å; Y24-L40 VanDerWaalsContact OH-CG 3.23Å; Y24-L40 WeakPolarHBondContact OH-CG 3.09Å; Y24-I41 HydrophobicContact CD1-CG1 4.06Å; Y24-I41 HydrophobicContact CE1-CG1 4.45Å; Y24-H44 HydrophobicContact CD2-CB 4.26Å; Y24-H44 AromaticContact CD2-CD2 3.45Å; Y24-H44 VanDerWaalsContact CD2-CD2 3.45Å; Y24-H44 WeakPolarHBondContact CD2-CD2 3.48Å; Y24-H44 AromaticContact CD2-CG 3.69Å; Y24-H44 AromaticContact CD2-NE2 3.75Å; Y24-H44 HydrophobicContact CE2-CB 3.86Å; Y24-H44 AromaticContact CE2-CD2 3.86Å; Y24-H44 AromaticContact CE2-CG 3.57Å; Y24-H44 AromaticContact CE2-ND1 3.86Å
25	T	94.4	Very high	92.4	Very high	84 Å²	84	52.2 Å²	52.2	52%	0.515	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.8	179	-61.5	0	0	0	0	110.6	C14 T15	C14-T25 WeakPolarHBondContact O-CA 3.49Å; T15-T25 PolarHBondContact OG1-OG1 3.22Å
26	C	92.4	Very high	92.4	Very high	16 Å²	16	57.3 Å²	57.3	11%	0.108	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	153.7	177.8	63.1	0	0	0	0	112	C14 Y24 L40	C14-C26 PolarHBondContact N-O 3.31Å; C14-C26 PolarHBondContact O-N 3.13Å; Y24-C26 HydrophobicContact CD1-CB 4.49Å; Y24-C26 HydrophobicContact CE1-CB 3.8Å; C26-L40 HydrophobicContact CB-CD2 3.98Å
27	T	92.4	Very high	92.4	Very high	86 Å²	86	57.3 Å²	57.3	53%	0.528	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	123.9	169.6	43.5	0	0	0	0	109.7	N13	N13-T27 VanDerWaalsContact OD1-CG2 3.26Å; N13-T27 WeakPolarHBondContact OD1-CG2 3.35Å
28	I	91.2	Very high	92.4	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.015	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	153.2	177.4	59.9	167.8	0	0	0	110.5	E11 C12 C14 A32 Y36 I73	E11-I28 CarbonylContact C-O 3.49Å; E11-I28 WeakPolarHBondContact CA-O 3.3Å; C12-I28 PolarHBondContact N-O 2.81Å; C12-I28 WeakPolarHBondContact O-CG1 3.37Å; C12-I28 PolarHBondContact O-N 3.13Å; C12-I28 VanDerWaalsContact SG-CG1 3.59Å; C14-I28 HydrophobicContact CB-CD1 4.06Å; C14-I28 HydrophobicContact CB-CG1 4.18Å; I28-A32 HydrophobicContact CB-CB 4.24Å; I28-Y36 HydrophobicContact CG2-CD1 4.49Å; I28-Y36 HydrophobicContact CG2-CE1 4.31Å; I28-I73 HydrophobicContact CD1-CB 4.22Å; I28-I73 HydrophobicContact CD1-CD1 3.51Å; I28-I73 HydrophobicContact CD1-CG1 4.45Å; I28-I73 HydrophobicContact CD1-CG2 4.09Å
29	Q	89.8	Confident	92.4	Very high	76 Å²	76	57.4 Å²	57.4	36%	0.355	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	146.1	171	-62	-64.3	-31.5	0	0	110.3	E11 D31 A32	E11-Q29 VanDerWaalsContact CG-NE2 3.33Å; E11-Q29 PolarHBondContact OE1-NE2 3.49Å; Q29-D31 WeakPolarHBondContact CB-OD1 3.22Å; Q29-D31 PolarHBondContact O-N 2.96Å; Q29-A32 HydrophobicContact CB-CB 4.41Å; Q29-A32 WeakPolarHBondContact O-CB 3.48Å; Q29-A32 PolarHBondContact O-N 2.92Å
30	R	84.9	Confident	92.5	Very high	116 Å²	116	59.6 Å²	59.6	44%	0.438	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-30.9	-179.3	-91.3	179.3	162.8	147.2	-5.9	113.7	D9 R10 S72 A74	D9-R30 PolarHBondContact O-NH1 3.23Å; R10-R30 WeakPolarHBondContact O-CB 3.31Å; R10-R30 VanDerWaalsContact O-CG 3.28Å; R10-R30 WeakPolarHBondContact O-CG 3.47Å; R10-R30 PolarHBondContact O-N 3.11Å; R30-S72 PolarHBondContact O-OG 2.72Å; R30-S72 VanDerWaalsContact O-OG 3.11Å; R30-A74 VanDerWaalsContact O-CB 3.24Å; R30-A74 WeakPolarHBondContact O-CB 3.36Å
31	D	88.6	Confident	92.8	Very high	113 Å²	113	57.6 Å²	57.6	60%	0.604	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-1.3	176.5	65.5	-24.1	0	0	0	113.6	Q29 K33	Q29-D31 WeakPolarHBondContact CB-OD1 3.22Å; Q29-D31 PolarHBondContact O-N 2.96Å; D31-K33 PolarHBondContact O-N 3.48Å
32	A	92.3	Very high	93	Very high	13 Å²	13	55.8 Å²	55.8	11%	0.107	28%	0.276	C	S	.	.			trans	-55.8	134.2	178	0	0	0	0	0	111.2	I28 Q29 Y36 S72 I73	I28-A32 HydrophobicContact CB-CB 4.24Å; Q29-A32 HydrophobicContact CB-CB 4.41Å; Q29-A32 WeakPolarHBondContact O-CB 3.48Å; Q29-A32 PolarHBondContact O-N 2.92Å; A32-Y36 HydrophobicContact CB-CD1 4.35Å; A32-S72 VanDerWaalsContact O-CA 3.32Å; A32-S72 WeakPolarHBondContact O-CA 3.5Å; A32-I73 PolarHBondContact O-N 3.36Å
33	K	94.4	Very high	93.1	Very high	126 Å²	126	61 Å²	61	55%	0.548	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-79.2	153.4	178	-66.5	-178.7	-179.6	175.2	0	110.6	D31 Q35 Y36 K71	D31-K33 PolarHBondContact O-N 3.48Å; K33-Q35 PolarHBondContact O-N 3.48Å; K33-Y36 WeakPolarHBondContact O-CB 3.47Å; K33-Y36 PolarHBondContact O-N 2.99Å; K33-Y36 VanDerWaalsContact O-N 3.08Å; K33-K71 WeakPolarHBondContact CA-O 3.16Å
34	G	93.8	Very high	93.1	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-55.7	-33.3	175.3	0	0	0	0	0	113.4	Y36 L37 F38 F69 K71	G34-Y36 VanDerWaalsContact C-N 3.31Å; G34-Y36 PolarHBondContact O-N 3.02Å; G34-L37 PolarHBondContact O-N 2.69Å; G34-F38 PolarHBondContact O-N 2.87Å; G34-F69 PolarHBondContact N-O 3.13Å; G34-K71 PolarHBondContact N-O 3.27Å
35	Q	94.4	Very high	93	Very high	68 Å²	68	59.2 Å²	59.2	32%	0.318	29%	0.289	S	S	.	.	H	α-helix	trans	-57.2	-41.4	176.5	-172.2	60.7	49.8	0	0	112.7	K33 F38 D39 F69	K33-Q35 PolarHBondContact O-N 3.48Å; Q35-F38 PolarHBondContact O-N 2.75Å; Q35-D39 WeakPolarHBondContact CG-OD2 3.3Å; Q35-D39 PolarHBondContact NE2-OD1 2.99Å; Q35-D39 PolarHBondContact NE2-OD2 2.81Å; Q35-D39 PolarHBondContact O-N 2.74Å; Q35-F69 HydrophobicContact CB-CB 4.06Å; Q35-F69 WeakPolarHBondContact CB-O 3.23Å; Q35-F69 PolarHBondContact N-O 3.34Å
36	Y	94.8	Very high	92.9	Very high	132 Å²	132	58.8 Å²	58.8	52%	0.518	28%	0.283	S	S	.	.	H	α-helix	trans	-63.7	-47	-178.1	173.9	-101	0	0	0	111.7	I28 A32 K33 G34 F38 D39 L40	I28-Y36 HydrophobicContact CG2-CD1 4.49Å; I28-Y36 HydrophobicContact CG2-CE1 4.31Å; A32-Y36 HydrophobicContact CB-CD1 4.35Å; K33-Y36 WeakPolarHBondContact O-CB 3.47Å; K33-Y36 PolarHBondContact O-N 2.99Å; K33-Y36 VanDerWaalsContact O-N 3.08Å; G34-Y36 VanDerWaalsContact C-N 3.31Å; G34-Y36 PolarHBondContact O-N 3.02Å; Y36-F38 VanDerWaalsContact C-N 3.31Å; Y36-F38 PolarHBondContact O-N 2.84Å; Y36-D39 PolarHBondContact O-N 2.75Å; Y36-L40 WeakPolarHBondContact O-CB 3.39Å; Y36-L40 PolarHBondContact O-N 3.06Å
37	L	95	Very high	92.9	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.5	-41	176.1	176.5	63.2	0	0	0	111.3	V16 G34 L40 I41 I55 L67 I73 M85	V16-L37 HydrophobicContact CG2-CD1 4.19Å; V16-L37 HydrophobicContact CG2-CD2 4.02Å; V16-L37 HydrophobicContact CG2-CG 4.39Å; G34-L37 PolarHBondContact O-N 2.69Å; L37-L40 PolarHBondContact O-N 3.23Å; L37-I41 HydrophobicContact CD1-CD1 4.15Å; L37-I41 HydrophobicContact CG-CD1 4.07Å; L37-I41 WeakPolarHBondContact O-CD1 3.46Å; L37-I41 WeakPolarHBondContact O-CG1 3.26Å; L37-I41 PolarHBondContact O-N 2.9Å; L37-I41 VanDerWaalsContact O-N 3.13Å; L37-I55 HydrophobicContact CD2-CD1 3.95Å; L37-I55 HydrophobicContact CG-CD1 3.9Å; L37-L67 HydrophobicContact CD2-CD2 4.41Å; L37-I73 HydrophobicContact CB-CD1 3.71Å; L37-I73 HydrophobicContact CD2-CD1 3.85Å; L37-I73 HydrophobicContact CG-CD1 4.43Å; L37-M85 HydrophobicContact CD2-CE 4.02Å; L37-M85 HydrophobicContact CD2-SD 4.02Å
38	F	95.9	Very high	92.9	Very high	5 Å²	5	58.2 Å²	58.2	2%	0.022	28%	0.275	C	S	.	.	H	α-helix	trans	-64.5	-45.8	178.9	-173.5	-115.6	0	0	0	112.3	G34 Q35 Y36 L40 I41 C42 K50 F53 I55 F69 L87	G34-F38 PolarHBondContact O-N 2.87Å; Q35-F38 PolarHBondContact O-N 2.75Å; Y36-F38 VanDerWaalsContact C-N 3.31Å; Y36-F38 PolarHBondContact O-N 2.84Å; F38-L40 VanDerWaalsContact C-N 3.3Å; F38-L40 PolarHBondContact O-N 2.89Å; F38-I41 PolarHBondContact O-N 3.24Å; F38-C42 PolarHBondContact O-N 3.2Å; F38-C42 PolarHBondContact O-SG 2.76Å; F38-K50 HydrophobicContact CE1-CB 3.9Å; F38-K50 HydrophobicContact CE1-CD 4.1Å; F38-K50 HydrophobicContact CE1-CG 4.13Å; F38-K50 HydrophobicContact CZ-CB 4.05Å; F38-K50 WeakPolarHBondContact CZ-O 3.36Å; F38-F53 HydrophobicContact CE2-CB 4.14Å; F38-F53 HydrophobicContact CZ-CB 4.16Å; F38-F53 WeakPolarHBondContact CZ-O 3.47Å; F38-I55 HydrophobicContact CB-CD1 4.09Å; F38-I55 HydrophobicContact CD2-CD1 4.1Å; F38-I55 HydrophobicContact CD2-CG1 4Å; F38-F69 HydrophobicContact CB-CD1 4.39Å; F38-F69 HydrophobicContact CB-CE1 4.01Å; F38-F69 HydrophobicContact CB-CZ 4.25Å; F38-F69 HydrophobicContact CD1-CE1 4.4Å; F38-F69 AromaticContact CD1-CE2 3.87Å; F38-F69 HydrophobicContact CD1-CE2 3.87Å; F38-F69 AromaticContact CD1-CZ 3.79Å; F38-F69 HydrophobicContact CD1-CZ 3.79Å; F38-F69 HydrophobicContact CD2-CE1 4.17Å; F38-F69 AromaticContact CD2-CZ 3.86Å; F38-F69 HydrophobicContact CD2-CZ 3.86Å; F38-F69 HydrophobicContact CE1-CE2 4Å; F38-F69 HydrophobicContact CE1-CZ 4.01Å; F38-F69 HydrophobicContact CE2-CZ 4.1Å; F38-F69 AromaticContact CG-CE1 3.94Å; F38-F69 HydrophobicContact CG-CE1 3.94Å; F38-F69 HydrophobicContact CG-CE2 4.24Å; F38-F69 AromaticContact CG-CZ 3.69Å; F38-F69 HydrophobicContact CG-CZ 3.69Å; F38-F69 HydrophobicContact CZ-CE2 4.49Å; F38-F69 HydrophobicContact CZ-CZ 4.16Å; F38-L87 HydrophobicContact CE2-CD1 4.05Å
39	D	95.4	Very high	93	Very high	59 Å²	59	58.2 Å²	58.2	32%	0.316	28%	0.275	S	S	.	.	H	α-helix	trans	-63.8	-36.2	177.6	-70.5	-35.4	0	0	0	112.1	Q35 Y36 C42 H43 K50	Q35-D39 WeakPolarHBondContact CG-OD2 3.3Å; Q35-D39 PolarHBondContact NE2-OD1 2.99Å; Q35-D39 PolarHBondContact NE2-OD2 2.81Å; Q35-D39 PolarHBondContact O-N 2.74Å; Y36-D39 PolarHBondContact O-N 2.75Å; D39-C42 PolarHBondContact O-N 2.78Å; D39-H43 WeakPolarHBondContact O-CB 3.39Å; D39-H43 PolarHBondContact O-N 3.34Å; D39-K50 IonicContact OD1-NZ 3.99Å; D39-K50 PolarHBondContact OD1-NZ 2.66Å
40	L	95.1	Very high	93.2	Very high	47 Å²	47	57.5 Å²	57.5	25%	0.246	27%	0.271	C	S	.	.	H	α-helix	trans	-62	-43.4	174.7	-175.9	64.6	0	0	0	111.9	Y24 C26 Y36 L37 F38 H43 H44	Y24-L40 HydrophobicContact CE1-CD2 3.77Å; Y24-L40 HydrophobicContact CE1-CG 3.94Å; Y24-L40 WeakPolarHBondContact OH-CD2 3.35Å; Y24-L40 VanDerWaalsContact OH-CG 3.23Å; Y24-L40 WeakPolarHBondContact OH-CG 3.09Å; C26-L40 HydrophobicContact CB-CD2 3.98Å; Y36-L40 WeakPolarHBondContact O-CB 3.39Å; Y36-L40 PolarHBondContact O-N 3.06Å; L37-L40 PolarHBondContact O-N 3.23Å; F38-L40 VanDerWaalsContact C-N 3.3Å; F38-L40 PolarHBondContact O-N 2.89Å; L40-H43 PolarHBondContact O-N 3.04Å; L40-H44 WeakPolarHBondContact O-CB 3.46Å; L40-H44 PolarHBondContact O-N 3.41Å
41	I	95.3	Very high	93.6	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-67.3	-44.3	176.7	-67.1	161.8	0	0	0	110.9	V16 L18 Y24 L37 F38 H43 H44 L45 I55 L87	V16-I41 HydrophobicContact CB-CD1 3.88Å; V16-I41 HydrophobicContact CG1-CD1 3.78Å; V16-I41 HydrophobicContact CG2-CD1 3.81Å; L18-I41 HydrophobicContact CD2-CG2 3.92Å; Y24-I41 HydrophobicContact CD1-CG1 4.06Å; Y24-I41 HydrophobicContact CE1-CG1 4.45Å; L37-I41 HydrophobicContact CD1-CD1 4.15Å; L37-I41 HydrophobicContact CG-CD1 4.07Å; L37-I41 WeakPolarHBondContact O-CD1 3.46Å; L37-I41 WeakPolarHBondContact O-CG1 3.26Å; L37-I41 PolarHBondContact O-N 2.9Å; L37-I41 VanDerWaalsContact O-N 3.13Å; F38-I41 PolarHBondContact O-N 3.24Å; I41-H43 VanDerWaalsContact C-N 3.26Å; I41-H43 PolarHBondContact O-N 2.96Å; I41-H44 PolarHBondContact O-N 3.5Å; I41-L45 HydrophobicContact CG2-CD1 3.89Å; I41-L45 HydrophobicContact CG2-CG 4.43Å; I41-L45 WeakPolarHBondContact O-CB 3.38Å; I41-L45 PolarHBondContact O-N 3.37Å; I41-I55 HydrophobicContact CD1-CD1 3.77Å; I41-I55 HydrophobicContact CD1-CG1 4.4Å; I41-L87 HydrophobicContact CG2-CD1 4.37Å; I41-L87 HydrophobicContact CG2-CD2 4Å
42	C	94.6	Very high	94	Very high	8 Å²	8	48.5 Å²	48.5	5%	0.054	23%	0.231	C	C	.	.	H	α-helix	trans	-61.2	-37.5	176.6	-66.6	0	0	0	0	111.7	F38 D39 N46 L47 K50	F38-C42 PolarHBondContact O-N 3.2Å; F38-C42 PolarHBondContact O-SG 2.76Å; D39-C42 PolarHBondContact O-N 2.78Å; C42-N46 WeakPolarHBondContact O-CA 3.46Å; C42-N46 PolarHBondContact O-N 3Å; C42-L47 PolarHBondContact O-N 2.92Å; C42-K50 HydrophobicContact CB-CB 4.46Å; C42-K50 VanDerWaalsContact SG-CB 3.52Å
43	H	93.8	Very high	94.2	Very high	156 Å²	156	48 Å²	48	72%	0.722	23%	0.226	S	C	*	.	H	α-helix	trans	-66.2	-45.3	174.5	-173.8	70.8	0	0	0	111.8	D39 L40 I41 L45 N46	D39-H43 WeakPolarHBondContact O-CB 3.39Å; D39-H43 PolarHBondContact O-N 3.34Å; L40-H43 PolarHBondContact O-N 3.04Å; I41-H43 VanDerWaalsContact C-N 3.26Å; I41-H43 PolarHBondContact O-N 2.96Å; H43-L45 VanDerWaalsContact C-N 3.33Å; H43-L45 PolarHBondContact O-N 3.21Å; H43-N46 PolarHBondContact O-N 3.03Å
44	H	92.2	Very high	94.3	Very high	106 Å²	106	42.1 Å²	42.1	49%	0.491	20%	0.201	S	C	.	.	H	α-helix	trans	-59.8	-41.7	176.8	176.2	62.6	0	0	0	112.8	Y24 L40 I41 N46	Y24-H44 HydrophobicContact CD2-CB 4.26Å; Y24-H44 AromaticContact CD2-CD2 3.45Å; Y24-H44 VanDerWaalsContact CD2-CD2 3.45Å; Y24-H44 WeakPolarHBondContact CD2-CD2 3.48Å; Y24-H44 AromaticContact CD2-CG 3.69Å; Y24-H44 AromaticContact CD2-NE2 3.75Å; Y24-H44 HydrophobicContact CE2-CB 3.86Å; Y24-H44 AromaticContact CE2-CD2 3.86Å; Y24-H44 AromaticContact CE2-CG 3.57Å; Y24-H44 AromaticContact CE2-ND1 3.86Å; L40-H44 WeakPolarHBondContact O-CB 3.46Å; L40-H44 PolarHBondContact O-N 3.41Å; I41-H44 PolarHBondContact O-N 3.5Å; H44-N46 VanDerWaalsContact C-N 3.25Å; H44-N46 PolarHBondContact O-N 3.11Å
45	L	91.8	Very high	94.4	Very high	29 Å²	29	42.1 Å²	42.1	15%	0.152	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-4.1	176.7	-70	176.5	0	0	0	113.7	L18 I41 H43 L47 L87 L107	L18-L45 HydrophobicContact CD1-CD2 3.93Å; L18-L45 HydrophobicContact CD1-CG 4.43Å; I41-L45 HydrophobicContact CG2-CD1 3.89Å; I41-L45 HydrophobicContact CG2-CG 4.43Å; I41-L45 WeakPolarHBondContact O-CB 3.38Å; I41-L45 PolarHBondContact O-N 3.37Å; H43-L45 VanDerWaalsContact C-N 3.33Å; H43-L45 PolarHBondContact O-N 3.21Å; L45-L47 VanDerWaalsContact C-N 3.28Å; L45-L47 HydrophobicContact CB-CB 4.25Å; L45-L47 PolarHBondContact O-N 2.83Å; L45-L87 HydrophobicContact CD1-CD2 3.5Å; L45-L107 HydrophobicContact CD1-CD1 4.4Å
46	N	92.1	Very high	94.4	Very high	74 Å²	74	40.5 Å²	40.5	40%	0.396	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	45.1	-172.8	-162.7	15.1	0	0	0	113.3	C42 H43 H44 R331 P334	C42-N46 WeakPolarHBondContact O-CA 3.46Å; C42-N46 PolarHBondContact O-N 3Å; H43-N46 PolarHBondContact O-N 3.03Å; H44-N46 VanDerWaalsContact C-N 3.25Å; H44-N46 PolarHBondContact O-N 3.11Å; N46-R331 VanDerWaalsContact CG-NH1 3.29Å; N46-R331 PolarHBondContact ND2-NH1 2.95Å; N46-R331 PolarHBondContact O-NH2 3.24Å; N46-R331 PolarHBondContact OD1-NH1 3.19Å; N46-P334 HydrophobicContact CB-CB 4.4Å; N46-P334 WeakPolarHBondContact ND2-CB 3.48Å
47	L	93.3	Very high	94.3	Very high	8 Å²	8	35 Å²	35	4%	0.042	17%	0.171	C	C	.	.			trans	-100.9	120.2	-172.3	179.6	68.2	0	0	0	111.8	C42 L45 K50 F53 I103 L107	C42-L47 PolarHBondContact O-N 2.92Å; L45-L47 VanDerWaalsContact C-N 3.28Å; L45-L47 HydrophobicContact CB-CB 4.25Å; L45-L47 PolarHBondContact O-N 2.83Å; L47-K50 HydrophobicContact CD2-CB 4.47Å; L47-F53 HydrophobicContact CD1-CE2 3.96Å; L47-F53 HydrophobicContact CD2-CD2 3.53Å; L47-F53 HydrophobicContact CD2-CE2 3.63Å; L47-F53 HydrophobicContact CD2-CG 4.2Å; L47-F53 HydrophobicContact CD2-CZ 4.4Å; L47-F53 HydrophobicContact CG-CE2 4.34Å; L47-I103 HydrophobicContact CD1-CG2 4.4Å; L47-L107 HydrophobicContact CD1-CD1 4.1Å; L47-L107 HydrophobicContact CD2-CD1 4.23Å
48	L	92.1	Very high	94.1	Very high	82 Å²	82	37.7 Å²	37.7	43%	0.429	19%	0.187	S	C	.	.	S	Bend	trans	-93.5	-37.3	175.8	-57	179.6	0	0	0	112.7	K50 E101 I329 R331	L48-K50 PolarHBondContact O-N 2.88Å; L48-E101 VanDerWaalsContact CB-OE2 3.24Å; L48-E101 WeakPolarHBondContact CB-OE2 3.41Å; L48-E101 PolarHBondContact N-OE2 3.34Å; L48-I329 HydrophobicContact CB-CD1 3.95Å; L48-I329 HydrophobicContact CD1-CD1 4.11Å; L48-I329 HydrophobicContact CD1-CG1 4.17Å; L48-I329 HydrophobicContact CD1-CG2 3.81Å; L48-R331 VanDerWaalsContact CD1-NE 3.26Å
49	E	93.3	Very high	93.7	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.019	19%	0.188	C	C	.	.			trans	-78.6	49.3	178.9	-50.7	-174.8	98	0	0	112.1	D51 Y52 K100 E101 T104 S326 I329	E49-D51 PolarHBondContact O-N 3.27Å; E49-Y52 HydrophobicContact CB-CD2 4.17Å; E49-Y52 HydrophobicContact CB-CE2 4.26Å; E49-K100 PolarHBondContact OE1-N 3.23Å; E49-E101 HydrophobicContact CG-CG 4.12Å; E49-E101 WeakPolarHBondContact OE2-CB 3.4Å; E49-E101 PolarHBondContact OE2-N 2.82Å; E49-T104 HydrophobicContact CB-CG2 3.86Å; E49-T104 WeakPolarHBondContact CB-OG1 3.28Å; E49-T104 WeakPolarHBondContact OE2-CB 3.3Å; E49-T104 PolarHBondContact OE2-OG1 3.3Å; E49-S326 WeakPolarHBondContact CG-OG 3.37Å; E49-S326 WeakPolarHBondContact OE1-CB 3.34Å; E49-S326 PolarHBondContact OE1-OG 3.35Å; E49-I329 HydrophobicContact CG-CD1 4.06Å
50	K	94	Very high	93.3	Very high	61 Å²	61	38.8 Å²	38.8	27%	0.265	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-66.1	-21.9	-172.4	67	-176.5	-175.7	-178.9	0	114.4	F38 D39 C42 L47 L48 Y52 F53	F38-K50 HydrophobicContact CE1-CB 3.9Å; F38-K50 HydrophobicContact CE1-CD 4.1Å; F38-K50 HydrophobicContact CE1-CG 4.13Å; F38-K50 HydrophobicContact CZ-CB 4.05Å; F38-K50 WeakPolarHBondContact CZ-O 3.36Å; D39-K50 IonicContact OD1-NZ 3.99Å; D39-K50 PolarHBondContact OD1-NZ 2.66Å; C42-K50 HydrophobicContact CB-CB 4.46Å; C42-K50 VanDerWaalsContact SG-CB 3.52Å; L47-K50 HydrophobicContact CD2-CB 4.47Å; L48-K50 PolarHBondContact O-N 2.88Å; K50-Y52 PolarHBondContact O-N 2.82Å; K50-Y52 VanDerWaalsContact O-N 3.09Å; K50-F53 PolarHBondContact O-N 2.88Å
51	D	94.6	Very high	92.8	Very high	31 Å²	31	42.5 Å²	42.5	17%	0.166	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-62.7	-18.1	-173.8	-68.3	-72.7	0	0	0	113.6	E49 F91 K317 V322	E49-D51 PolarHBondContact O-N 3.27Å; D51-F91 WeakPolarHBondContact O-CD2 3.44Å; D51-K317 IonicContact OD1-NZ 3.32Å; D51-K317 IonicContact OD2-NZ 2.82Å; D51-K317 PolarHBondContact OD2-NZ 3.11Å; D51-V322 HydrophobicContact CB-CB 4.43Å; D51-V322 HydrophobicContact CB-CG1 4.07Å; D51-V322 HydrophobicContact CB-CG2 3.42Å; D51-V322 VanDerWaalsContact CB-CG2 3.42Å
52	Y	95.9	Very high	92.3	Very high	8 Å²	8	49 Å²	49	3%	0.031	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-78.9	-16.8	174.7	-63.9	-69.3	0	0	0	114.2	E49 K50 K90 F91 P93 L99 T104 F288 V322	E49-Y52 HydrophobicContact CB-CD2 4.17Å; E49-Y52 HydrophobicContact CB-CE2 4.26Å; K50-Y52 PolarHBondContact O-N 2.82Å; K50-Y52 VanDerWaalsContact O-N 3.09Å; Y52-K90 PolarHBondContact O-N 3.08Å; Y52-F91 HydrophobicContact CD1-CB 4.42Å; Y52-F91 WeakPolarHBondContact CD1-O 3.24Å; Y52-F91 PolarHBondContact O-N 2.65Å; Y52-P93 HydrophobicContact CE1-CB 4.32Å; Y52-L99 HydrophobicContact CD2-CD2 4.16Å; Y52-L99 HydrophobicContact CE2-CD2 3.53Å; Y52-T104 HydrophobicContact CD2-CG2 4.13Å; Y52-F288 HydrophobicContact CD1-CE1 4.47Å; Y52-F288 AromaticContact CD1-CZ 3.98Å; Y52-F288 HydrophobicContact CD1-CZ 3.98Å; Y52-F288 HydrophobicContact CE1-CE1 4.3Å; Y52-F288 AromaticContact CE1-CZ 3.88Å; Y52-F288 HydrophobicContact CE1-CZ 3.88Å; Y52-V322 HydrophobicContact CD2-CG1 4.41Å; Y52-V322 HydrophobicContact CE2-CG1 3.68Å
53	F	96.9	Very high	91.9	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.018	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	157.4	-169.5	-56.8	-89.4	0	0	0	112.3	L19 F38 L47 K50 L87 R88 V89 T104 L107 V108	L19-F53 HydrophobicContact CD1-CD1 3.92Å; L19-F53 HydrophobicContact CD1-CE1 3.69Å; F38-F53 HydrophobicContact CE2-CB 4.14Å; F38-F53 HydrophobicContact CZ-CB 4.16Å; F38-F53 WeakPolarHBondContact CZ-O 3.47Å; L47-F53 HydrophobicContact CD1-CE2 3.96Å; L47-F53 HydrophobicContact CD2-CD2 3.53Å; L47-F53 HydrophobicContact CD2-CE2 3.63Å; L47-F53 HydrophobicContact CD2-CG 4.2Å; L47-F53 HydrophobicContact CD2-CZ 4.4Å; L47-F53 HydrophobicContact CG-CE2 4.34Å; K50-F53 PolarHBondContact O-N 2.88Å; F53-L87 HydrophobicContact CB-CD1 4.13Å; F53-R88 WeakPolarHBondContact CA-O 3.37Å; F53-V89 HydrophobicContact CD1-CG2 4.12Å; F53-V89 HydrophobicContact CE1-CG2 3.85Å; F53-T104 HydrophobicContact CE2-CG2 3.98Å; F53-T104 HydrophobicContact CZ-CG2 4.14Å; F53-L107 HydrophobicContact CE1-CB 3.64Å; F53-L107 HydrophobicContact CE1-CD1 4.11Å; F53-L107 HydrophobicContact CZ-CB 3.69Å; F53-L107 HydrophobicContact CZ-CD1 3.91Å; F53-L107 HydrophobicContact CZ-CG 4.48Å; F53-V108 HydrophobicContact CZ-CG2 4.48Å
54	G	96.1	Very high	91.7	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	165.4	174.2	0	0	0	0	0	112	R88	G54-R88 PolarHBondContact N-O 3.03Å; G54-R88 PolarHBondContact O-N 3.28Å
55	I	96.3	Very high	91.7	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.4	174	-58.8	172.9	0	0	0	108.1	L37 F38 I41 L67 M85 C86 L87	L37-I55 HydrophobicContact CD2-CD1 3.95Å; L37-I55 HydrophobicContact CG-CD1 3.9Å; F38-I55 HydrophobicContact CB-CD1 4.09Å; F38-I55 HydrophobicContact CD2-CD1 4.1Å; F38-I55 HydrophobicContact CD2-CG1 4Å; I41-I55 HydrophobicContact CD1-CD1 3.77Å; I41-I55 HydrophobicContact CD1-CG1 4.4Å; I55-L67 HydrophobicContact CB-CB 4.01Å; I55-L67 HydrophobicContact CB-CD2 4.04Å; I55-L67 HydrophobicContact CD1-CD2 4.03Å; I55-L67 HydrophobicContact CG2-CB 4.27Å; I55-L67 HydrophobicContact CG2-CD2 4.08Å; I55-L67 WeakPolarHBondContact O-CB 3.38Å; I55-L67 PolarHBondContact O-N 3.36Å; I55-M85 HydrophobicContact CG2-CB 3.55Å; I55-M85 HydrophobicContact CG2-CG 4.18Å; I55-M85 HydrophobicContact CG2-SD 3.61Å; I55-C86 WeakPolarHBondContact CA-O 3.26Å; I55-L87 HydrophobicContact CG1-CD1 4.49Å
56	R	94.5	Very high	91.8	Very high	33 Å²	33	43 Å²	43	13%	0.125	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	142.2	177.6	-163.9	177.3	69.2	-178.2	-3.9	110	H65 W66 M85 C86 D203	R56-H65 WeakPolarHBondContact CA-O 3.3Å; R56-H65 WeakPolarHBondContact CG-O 3.47Å; R56-W66 HydrophobicContact CB-CE3 4.05Å; R56-W66 HydrophobicContact CB-CZ3 4.05Å; R56-M85 CarbonylContact O-C 3.48Å; R56-M85 WeakPolarHBondContact O-CA 3.47Å; R56-C86 PolarHBondContact N-O 3.34Å; R56-C86 PolarHBondContact O-N 3.31Å; R56-D203 IonicContact NH1-OD1 2.91Å; R56-D203 IonicContact NH1-OD2 2.78Å; R56-D203 PolarHBondContact NH1-OD2 3.01Å
57	Y	93.2	Very high	91.9	Very high	18 Å²	18	39.7 Å²	39.7	7%	0.071	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	164.9	171.3	70.6	-82.5	0	0	0	110.5	D59 H65 L67 Q76 M77	Y57-D59 HydrophobicContact CE2-CB 4.43Å; Y57-H65 HydrophobicContact CD1-CB 4.08Å; Y57-H65 HydrophobicContact CE1-CB 3.53Å; Y57-H65 HydrophobicContact CE2-CB 4.07Å; Y57-H65 PolarHBondContact N-O 2.92Å; Y57-H65 PolarHBondContact O-N 3.37Å; Y57-L67 HydrophobicContact CD1-CB 4.47Å; Y57-L67 HydrophobicContact CD1-CD1 4.41Å; Y57-L67 HydrophobicContact CE1-CD1 4.33Å; Y57-Q76 PolarHBondContact OH-O 3.49Å; Y57-M77 HydrophobicContact CD1-SD 4.09Å; Y57-M77 HydrophobicContact CD2-CE 4.06Å; Y57-M77 HydrophobicContact CD2-SD 3.61Å; Y57-M77 HydrophobicContact CE2-SD 4.14Å; Y57-M77 HydrophobicContact CG-CE 4.21Å; Y57-M77 HydrophobicContact CG-SD 3.58Å; Y57-M77 VanDerWaalsContact CG-SD 3.58Å
58	V	90.1	Very high	91.9	Very high	55 Å²	55	41.5 Å²	41.5	33%	0.333	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.1	174.4	-176.2	0	0	0	0	106.9	Q63 R64	V58-Q63 WeakPolarHBondContact CA-O 3.33Å; V58-R64 HydrophobicContact CG2-CG 4.28Å
59	D	86.9	Confident	91.9	Very high	8 Å²	8	40 Å²	40	4%	0.043	19%	0.192	C	C	.	.			trans	-79.4	170.7	177.5	73.6	7.7	0	0	0	111.6	Y57 D61 K62 Q63 H65	Y57-D59 HydrophobicContact CE2-CB 4.43Å; D59-D61 PolarHBondContact O-N 3.44Å; D59-D61 VanDerWaalsContact O-N 3.14Å; D59-D61 VanDerWaalsContact OD1-C 3.31Å; D59-D61 WeakPolarHBondContact OD1-CA 3.41Å; D59-D61 WeakPolarHBondContact OD1-CB 3.35Å; D59-D61 PolarHBondContact OD1-N 3.46Å; D59-D61 VanDerWaalsContact OD1-N 3.08Å; D59-K62 PolarHBondContact O-N 3.4Å; D59-K62 PolarHBondContact OD1-N 2.9Å; D59-Q63 PolarHBondContact N-O 3.41Å; D59-Q63 WeakPolarHBondContact OD1-CA 3.2Å; D59-Q63 WeakPolarHBondContact OD1-CB 3.35Å; D59-Q63 PolarHBondContact OD1-N 3.23Å; D59-H65 IonicContact OD2-CD2 2.78Å; D59-H65 IonicContact OD2-CE1 2.98Å; D59-H65 IonicContact OD2-NE2 2.78Å; D59-H65 PolarHBondContact OD2-NE2 3.49Å
60	P	86.4	Confident	91.7	Very high	80 Å²	80	44 Å²	44	52%	0.519	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-26.1	178.2	-27.3	37.1	0	0	0	114.1	K62	P60-K62 PolarHBondContact O-N 3.38Å
61	D	84.6	Confident	91.6	Very high	124 Å²	124	45.8 Å²	45.8	66%	0.663	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	12.2	178.1	-54.5	-49.9	0	0	0	112.6	D59 Q63	D59-D61 PolarHBondContact O-N 3.44Å; D59-D61 VanDerWaalsContact O-N 3.14Å; D59-D61 VanDerWaalsContact OD1-C 3.31Å; D59-D61 WeakPolarHBondContact OD1-CA 3.41Å; D59-D61 WeakPolarHBondContact OD1-CB 3.35Å; D59-D61 PolarHBondContact OD1-N 3.46Å; D59-D61 VanDerWaalsContact OD1-N 3.08Å; D61-Q63 PolarHBondContact O-N 3.07Å
62	K	85.4	Confident	91.5	Very high	139 Å²	139	45.1 Å²	45.1	60%	0.604	22%	0.223	S	C	*	.	S	Bend	trans	65	12.8	-179.9	-52.1	-87.3	-178.1	162.4	0	114	D59 P60 T352	D59-K62 PolarHBondContact O-N 3.4Å; D59-K62 PolarHBondContact OD1-N 2.9Å; P60-K62 PolarHBondContact O-N 3.38Å; K62-T352 HydrophobicContact CD-CG2 3.61Å
63	Q	86.6	Confident	91.3	Very high	38 Å²	38	44.8 Å²	44.8	18%	0.178	22%	0.222	C	C	.	.			trans	-82.8	134.3	175.9	177.8	58.9	45.7	0	0	110.3	V58 D59 D61 H65 A274	V58-Q63 WeakPolarHBondContact CA-O 3.33Å; D59-Q63 PolarHBondContact N-O 3.41Å; D59-Q63 WeakPolarHBondContact OD1-CA 3.2Å; D59-Q63 WeakPolarHBondContact OD1-CB 3.35Å; D59-Q63 PolarHBondContact OD1-N 3.23Å; D61-Q63 PolarHBondContact O-N 3.07Å; Q63-H65 VanDerWaalsContact CG-NE2 3.34Å; Q63-H65 WeakPolarHBondContact CG-NE2 3.44Å; Q63-H65 PolarHBondContact O-CD2 2.7Å; Q63-H65 VanDerWaalsContact O-CD2 3.25Å; Q63-A274 VanDerWaalsContact OE1-CB 3.3Å
64	R	89.5	Confident	91	Very high	71 Å²	71	46.2 Å²	46.2	27%	0.268	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	138.8	175.1	-62.8	175.5	-174.4	163.6	7.2	110	V58 D203 H277	V58-R64 HydrophobicContact CG2-CG 4.28Å; R64-D203 IonicContact NH1-OD1 2.84Å; R64-H277 PolarHBondContact O-CD2 3.41Å; R64-H277 VanDerWaalsContact O-CD2 3.32Å; R64-H277 PolarHBondContact O-NE2 3.28Å
65	H	91.4	Very high	90.7	Very high	29 Å²	29	54.8 Å²	54.8	13%	0.134	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	144.2	177.3	-62.4	-81.1	0	0	0	111.2	R56 Y57 D59 Q63	R56-H65 WeakPolarHBondContact CA-O 3.3Å; R56-H65 WeakPolarHBondContact CG-O 3.47Å; Y57-H65 HydrophobicContact CD1-CB 4.08Å; Y57-H65 HydrophobicContact CE1-CB 3.53Å; Y57-H65 HydrophobicContact CE2-CB 4.07Å; Y57-H65 PolarHBondContact N-O 2.92Å; Y57-H65 PolarHBondContact O-N 3.37Å; D59-H65 IonicContact OD2-CD2 2.78Å; D59-H65 IonicContact OD2-CE1 2.98Å; D59-H65 IonicContact OD2-NE2 2.78Å; D59-H65 PolarHBondContact OD2-NE2 3.49Å; Q63-H65 VanDerWaalsContact CG-NE2 3.34Å; Q63-H65 WeakPolarHBondContact CG-NE2 3.44Å; Q63-H65 PolarHBondContact O-CD2 2.7Å; Q63-H65 VanDerWaalsContact O-CD2 3.25Å
66	W	94.4	Very high	90.4	Very high	33 Å²	33	55.6 Å²	55.6	13%	0.125	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	134.1	163.3	-68.7	110.7	0	0	0	109.2	R56 E68 R88 K90 H277	R56-W66 HydrophobicContact CB-CE3 4.05Å; R56-W66 HydrophobicContact CB-CZ3 4.05Å; W66-E68 PolarHBondContact O-N 3.03Å; W66-R88 HydrophobicContact CH2-CB 3.86Å; W66-R88 HydrophobicContact CZ3-CB 4.14Å; W66-K90 HydrophobicContact CD2-CD 4.16Å; W66-K90 HydrophobicContact CD2-CG 4.2Å; W66-K90 HydrophobicContact CE3-CB 4.44Å; W66-K90 HydrophobicContact CE3-CD 4.25Å; W66-K90 HydrophobicContact CE3-CG 4.35Å; W66-K90 HydrophobicContact CH2-CB 3.73Å; W66-K90 HydrophobicContact CH2-CG 4.1Å; W66-K90 HydrophobicContact CZ2-CB 4.04Å; W66-K90 HydrophobicContact CZ2-CG 3.93Å; W66-K90 HydrophobicContact CZ3-CB 3.95Å; W66-K90 HydrophobicContact CZ3-CG 4.31Å; W66-H277 AromaticContact CD1-CE1 3.62Å
67	L	94.5	Very high	90	Very high	6 Å²	6	54.2 Å²	54.2	3%	0.031	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-65.8	121.1	174.4	-172.3	71.8	0	0	0	109.3	L37 I55 Y57 F69 I73 Q76 M85	L37-L67 HydrophobicContact CD2-CD2 4.41Å; I55-L67 HydrophobicContact CB-CB 4.01Å; I55-L67 HydrophobicContact CB-CD2 4.04Å; I55-L67 HydrophobicContact CD1-CD2 4.03Å; I55-L67 HydrophobicContact CG2-CB 4.27Å; I55-L67 HydrophobicContact CG2-CD2 4.08Å; I55-L67 WeakPolarHBondContact O-CB 3.38Å; I55-L67 PolarHBondContact O-N 3.36Å; Y57-L67 HydrophobicContact CD1-CB 4.47Å; Y57-L67 HydrophobicContact CD1-CD1 4.41Å; Y57-L67 HydrophobicContact CE1-CD1 4.33Å; L67-F69 WeakPolarHBondContact O-CD1 3.49Å; L67-F69 PolarHBondContact O-N 3.28Å; L67-I73 HydrophobicContact CD1-CG1 4.27Å; L67-I73 HydrophobicContact CD2-CG1 4.25Å; L67-Q76 HydrophobicContact CD1-CB 4.48Å; L67-M85 HydrophobicContact CD1-SD 4.43Å; L67-M85 HydrophobicContact CD2-SD 4.14Å
68	E	92.5	Very high	89.4	Confident	45 Å²	45	59.5 Å²	59.5	21%	0.21	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-77.9	117.9	174.9	-59.8	-174	-147.4	0	0	109.5	W66 T70 K71 Q76 K280	W66-E68 PolarHBondContact O-N 3.03Å; E68-T70 VanDerWaalsContact C-N 3.27Å; E68-T70 PolarHBondContact O-N 2.9Å; E68-K71 HydrophobicContact CB-CB 4.34Å; E68-K71 HydrophobicContact CB-CD 4.18Å; E68-K71 HydrophobicContact CB-CG 4.39Å; E68-K71 PolarHBondContact O-N 3.01Å; E68-K71 IonicContact OE1-NZ 2.74Å; E68-K71 PolarHBondContact OE1-NZ 2.8Å; E68-K71 VanDerWaalsContact OE2-CD 3.28Å; E68-K71 WeakPolarHBondContact OE2-CD 3.26Å; E68-K71 WeakPolarHBondContact OE2-CE 3.46Å; E68-K71 IonicContact OE2-NZ 2.7Å; E68-K71 PolarHBondContact OE2-NZ 2.96Å; E68-Q76 VanDerWaalsContact CB-OE1 3.24Å; E68-Q76 PolarHBondContact O-NE2 3.02Å; E68-K280 IonicContact OE1-NZ 3.83Å; E68-K280 PolarHBondContact OE1-NZ 3.14Å
69	F	92.3	Very high	88.9	Confident	50 Å²	50	58.9 Å²	58.9	22%	0.219	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-26.6	-173.7	-61.9	-22.7	0	0	0	114.2	G34 Q35 F38 L67 K71	G34-F69 PolarHBondContact N-O 3.13Å; Q35-F69 HydrophobicContact CB-CB 4.06Å; Q35-F69 WeakPolarHBondContact CB-O 3.23Å; Q35-F69 PolarHBondContact N-O 3.34Å; F38-F69 HydrophobicContact CB-CD1 4.39Å; F38-F69 HydrophobicContact CB-CE1 4.01Å; F38-F69 HydrophobicContact CB-CZ 4.25Å; F38-F69 HydrophobicContact CD1-CE1 4.4Å; F38-F69 AromaticContact CD1-CE2 3.87Å; F38-F69 HydrophobicContact CD1-CE2 3.87Å; F38-F69 AromaticContact CD1-CZ 3.79Å; F38-F69 HydrophobicContact CD1-CZ 3.79Å; F38-F69 HydrophobicContact CD2-CE1 4.17Å; F38-F69 AromaticContact CD2-CZ 3.86Å; F38-F69 HydrophobicContact CD2-CZ 3.86Å; F38-F69 HydrophobicContact CE1-CE2 4Å; F38-F69 HydrophobicContact CE1-CZ 4.01Å; F38-F69 HydrophobicContact CE2-CZ 4.1Å; F38-F69 AromaticContact CG-CE1 3.94Å; F38-F69 HydrophobicContact CG-CE1 3.94Å; F38-F69 HydrophobicContact CG-CE2 4.24Å; F38-F69 AromaticContact CG-CZ 3.69Å; F38-F69 HydrophobicContact CG-CZ 3.69Å; F38-F69 HydrophobicContact CZ-CE2 4.49Å; F38-F69 HydrophobicContact CZ-CZ 4.16Å; L67-F69 WeakPolarHBondContact O-CD1 3.49Å; L67-F69 PolarHBondContact O-N 3.28Å; F69-K71 VanDerWaalsContact C-N 3.34Å
70	T	89.8	Confident	88.6	Confident	90 Å²	90	65.8 Å²	65.8	55%	0.552	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-13.1	-179.2	57.2	0	0	0	0	113.6	E68	E68-T70 VanDerWaalsContact C-N 3.27Å; E68-T70 PolarHBondContact O-N 2.9Å
71	K	91.9	Very high	88.4	Confident	97 Å²	97	64.1 Å²	64.1	42%	0.422	31%	0.313	S	S	.	.	S	Bend	trans	-105.5	154.6	-175.8	-70.2	179.8	-178.1	162.7	0	111.7	K33 G34 E68 F69 Q76	K33-K71 WeakPolarHBondContact CA-O 3.16Å; G34-K71 PolarHBondContact N-O 3.27Å; E68-K71 HydrophobicContact CB-CB 4.34Å; E68-K71 HydrophobicContact CB-CD 4.18Å; E68-K71 HydrophobicContact CB-CG 4.39Å; E68-K71 PolarHBondContact O-N 3.01Å; E68-K71 IonicContact OE1-NZ 2.74Å; E68-K71 PolarHBondContact OE1-NZ 2.8Å; E68-K71 VanDerWaalsContact OE2-CD 3.28Å; E68-K71 WeakPolarHBondContact OE2-CD 3.26Å; E68-K71 WeakPolarHBondContact OE2-CE 3.46Å; E68-K71 IonicContact OE2-NZ 2.7Å; E68-K71 PolarHBondContact OE2-NZ 2.96Å; F69-K71 VanDerWaalsContact C-N 3.34Å; K71-Q76 HydrophobicContact CB-CG 4.13Å; K71-Q76 VanDerWaalsContact CB-NE2 3.34Å; K71-Q76 PolarHBondContact O-NE2 3.29Å
72	S	92.6	Very high	88.4	Confident	18 Å²	18	62.6 Å²	62.6	13%	0.126	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-61.2	137.8	172.3	154.9	0	0	0	0	110.4	R30 A32 A74 Q76	R30-S72 PolarHBondContact O-OG 2.72Å; R30-S72 VanDerWaalsContact O-OG 3.11Å; A32-S72 VanDerWaalsContact O-CA 3.32Å; A32-S72 WeakPolarHBondContact O-CA 3.5Å; S72-A74 PolarHBondContact OG-N 2.94Å; S72-Q76 WeakPolarHBondContact O-CG 3.34Å; S72-Q76 PolarHBondContact O-NE2 2.89Å; S72-Q76 VanDerWaalsContact O-NE2 3.15Å
73	I	92.2	Very high	88.6	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-63.9	-49.6	-179.7	-66.2	166.6	0	0	0	110.3	I28 A32 L37 L67 K75 Q76 M77 F83 M85	I28-I73 HydrophobicContact CD1-CB 4.22Å; I28-I73 HydrophobicContact CD1-CD1 3.51Å; I28-I73 HydrophobicContact CD1-CG1 4.45Å; I28-I73 HydrophobicContact CD1-CG2 4.09Å; A32-I73 PolarHBondContact O-N 3.36Å; L37-I73 HydrophobicContact CB-CD1 3.71Å; L37-I73 HydrophobicContact CD2-CD1 3.85Å; L37-I73 HydrophobicContact CG-CD1 4.43Å; L67-I73 HydrophobicContact CD1-CG1 4.27Å; L67-I73 HydrophobicContact CD2-CG1 4.25Å; I73-K75 PolarHBondContact O-N 3.33Å; I73-Q76 PolarHBondContact O-N 3.37Å; I73-M77 HydrophobicContact CG2-CG 3.98Å; I73-M77 WeakPolarHBondContact O-CG 3.46Å; I73-M77 PolarHBondContact O-N 3.49Å; I73-M77 VanDerWaalsContact O-N 3.12Å; I73-F83 HydrophobicContact CG2-CD2 3.92Å; I73-F83 HydrophobicContact CG2-CE2 4.15Å; I73-M85 HydrophobicContact CG2-CE 3.42Å; I73-M85 VanDerWaalsContact CG2-CE 3.42Å
74	A	89.8	Confident	88.9	Confident	33 Å²	33	57.6 Å²	57.6	27%	0.273	29%	0.293	S	S	.	.	H	α-helix	trans	-59.2	-34.3	-177.9	0	0	0	0	0	112.9	R30 S72 Q76 F83	R30-A74 VanDerWaalsContact O-CB 3.24Å; R30-A74 WeakPolarHBondContact O-CB 3.36Å; S72-A74 PolarHBondContact OG-N 2.94Å; A74-Q76 VanDerWaalsContact C-N 3.28Å; A74-Q76 PolarHBondContact O-N 2.82Å; A74-F83 HydrophobicContact CB-CE2 4.19Å; A74-F83 HydrophobicContact CB-CZ 4.1Å
75	K	89.6	Confident	89.1	Confident	181 Å²	181	54.3 Å²	54.3	79%	0.787	28%	0.281	S	S	*	.	H	α-helix	trans	-70.3	-21.9	176.6	-67.7	-174.2	-179.3	179.7	0	113.6	I73	I73-K75 PolarHBondContact O-N 3.33Å
76	Q	91.1	Very high	89.3	Confident	18 Å²	18	53.3 Å²	53.3	8%	0.084	28%	0.277	C	S	.	.	H	α-helix	trans	-93.7	-37.7	-176.2	-70	-179.9	82.8	0	0	112.9	Y57 L67 E68 K71 S72 I73 A74 K78	Y57-Q76 PolarHBondContact OH-O 3.49Å; L67-Q76 HydrophobicContact CD1-CB 4.48Å; E68-Q76 VanDerWaalsContact CB-OE1 3.24Å; E68-Q76 PolarHBondContact O-NE2 3.02Å; K71-Q76 HydrophobicContact CB-CG 4.13Å; K71-Q76 VanDerWaalsContact CB-NE2 3.34Å; K71-Q76 PolarHBondContact O-NE2 3.29Å; S72-Q76 WeakPolarHBondContact O-CG 3.34Å; S72-Q76 PolarHBondContact O-NE2 2.89Å; S72-Q76 VanDerWaalsContact O-NE2 3.15Å; I73-Q76 PolarHBondContact O-N 3.37Å; A74-Q76 VanDerWaalsContact C-N 3.28Å; A74-Q76 PolarHBondContact O-N 2.82Å; Q76-K78 VanDerWaalsContact C-N 3.25Å; Q76-K78 PolarHBondContact O-N 3.11Å
77	M	85.8	Confident	89.5	Confident	4 Å²	4	51.9 Å²	51.9	2%	0.02	27%	0.272	C	S	.	.	H	α-helix	trans	-63.7	-28.7	-172.5	-69	-61.5	-64.3	0	0	113.3	Y57 I73 S79 F83 M85	Y57-M77 HydrophobicContact CD1-SD 4.09Å; Y57-M77 HydrophobicContact CD2-CE 4.06Å; Y57-M77 HydrophobicContact CD2-SD 3.61Å; Y57-M77 HydrophobicContact CE2-SD 4.14Å; Y57-M77 HydrophobicContact CG-CE 4.21Å; Y57-M77 HydrophobicContact CG-SD 3.58Å; Y57-M77 VanDerWaalsContact CG-SD 3.58Å; I73-M77 HydrophobicContact CG2-CG 3.98Å; I73-M77 WeakPolarHBondContact O-CG 3.46Å; I73-M77 PolarHBondContact O-N 3.49Å; I73-M77 VanDerWaalsContact O-N 3.12Å; M77-S79 PolarHBondContact O-N 3.09Å; M77-F83 HydrophobicContact CB-CD1 3.87Å; M77-F83 HydrophobicContact CB-CE1 3.74Å; M77-F83 HydrophobicContact CB-CZ 4.24Å; M77-F83 HydrophobicContact CE-CB 4.01Å; M77-F83 HydrophobicContact CE-CD1 4.1Å; M77-F83 HydrophobicContact CE-CG 4.28Å; M77-F83 HydrophobicContact CG-CB 4.48Å; M77-F83 HydrophobicContact CG-CD1 3.78Å; M77-F83 HydrophobicContact CG-CD2 4.23Å; M77-F83 HydrophobicContact CG-CE1 3.99Å; M77-F83 HydrophobicContact CG-CE2 4.41Å; M77-F83 HydrophobicContact CG-CG 3.92Å; M77-F83 HydrophobicContact CG-CZ 4.3Å; M77-M85 HydrophobicContact CE-CE 4.36Å; M77-M85 HydrophobicContact CE-CG 4.21Å; M77-M85 HydrophobicContact CG-CE 4.33Å; M77-M85 HydrophobicContact SD-CE 3.78Å; M77-M85 HydrophobicContact SD-CG 4.21Å; M77-M85 HydrophobicContact SD-SD 4.13Å
78	K	81	Confident	89.6	Confident	129 Å²	129	52.6 Å²	52.6	56%	0.561	27%	0.274	S	S	*	.			trans	55	-7.7	-173.4	-57.8	177.4	-176.9	173.2	0	115.3	Q76	Q76-K78 VanDerWaalsContact C-N 3.25Å; Q76-K78 PolarHBondContact O-N 3.11Å
79	S	79.5	Confident	89.8	Confident	43 Å²	43	50.8 Å²	50.8	30%	0.301	27%	0.266	S	S	.	.	S	Bend	trans	-95.7	164.9	174.8	58.8	0	0	0	0	111.4	M77 F83	M77-S79 PolarHBondContact O-N 3.09Å; S79-F83 WeakPolarHBondContact O-CE1 3.4Å
80	Q	80.7	Confident	89.9	Confident	153 Å²	153	49.9 Å²	49.9	72%	0.715	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-81.8	149.1	168.2	-67.3	-64.9	-23.5	0	0	110.1
81	P	80.7	Confident	90.3	Very high	45 Å²	45	45.8 Å²	45.8	29%	0.292	24%	0.236	S	C	.	.	S	Bend	trans	-56.9	154.7	171.3	-22	32.5	0	0	0	112.4	C12 F83	C12-P81 HydrophobicContact CB-CB 3.96Å; C12-P81 HydrophobicContact CB-CG 3.7Å; P81-F83 HydrophobicContact CB-CE1 4.47Å; P81-F83 HydrophobicContact CG-CE1 3.97Å; P81-F83 HydrophobicContact CG-CE2 4.33Å; P81-F83 HydrophobicContact CG-CZ 3.82Å
82	P	84.8	Confident	90.5	Very high	91 Å²	91	41.7 Å²	41.7	59%	0.591	22%	0.219	S	C	*	.	S	Bend	cis	-73.1	144.4	3.5	30.1	-35	0	0	0	112.9	N13	N13-P82 HydrophobicContact CB-CB 4.32Å; N13-P82 WeakPolarHBondContact O-CA 3.13Å
83	F	90.4	Very high	90.6	Very high	4 Å²	4	41 Å²	41	2%	0.018	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	128.2	177.6	-61.6	-37.6	0	0	0	110.7	C12 N13 C14 T15 I73 A74 M77 S79 P81 M85	C12-F83 HydrophobicContact CB-CE2 4.32Å; N13-F83 PolarHBondContact O-N 3.46Å; C14-F83 WeakPolarHBondContact CA-O 3.35Å; T15-F83 PolarHBondContact N-O 2.87Å; I73-F83 HydrophobicContact CG2-CD2 3.92Å; I73-F83 HydrophobicContact CG2-CE2 4.15Å; A74-F83 HydrophobicContact CB-CE2 4.19Å; A74-F83 HydrophobicContact CB-CZ 4.1Å; M77-F83 HydrophobicContact CB-CD1 3.87Å; M77-F83 HydrophobicContact CB-CE1 3.74Å; M77-F83 HydrophobicContact CB-CZ 4.24Å; M77-F83 HydrophobicContact CE-CB 4.01Å; M77-F83 HydrophobicContact CE-CD1 4.1Å; M77-F83 HydrophobicContact CE-CG 4.28Å; M77-F83 HydrophobicContact CG-CB 4.48Å; M77-F83 HydrophobicContact CG-CD1 3.78Å; M77-F83 HydrophobicContact CG-CD2 4.23Å; M77-F83 HydrophobicContact CG-CE1 3.99Å; M77-F83 HydrophobicContact CG-CE2 4.41Å; M77-F83 HydrophobicContact CG-CG 3.92Å; M77-F83 HydrophobicContact CG-CZ 4.3Å; S79-F83 WeakPolarHBondContact O-CE1 3.4Å; P81-F83 HydrophobicContact CB-CE1 4.47Å; P81-F83 HydrophobicContact CG-CE1 3.97Å; P81-F83 HydrophobicContact CG-CE2 4.33Å; P81-F83 HydrophobicContact CG-CZ 3.82Å; F83-M85 HydrophobicContact CB-CE 3.76Å; F83-M85 HydrophobicContact CD2-CE 4.5Å; F83-M85 HydrophobicContact CG-CE 4.42Å
84	T	91.8	Very high	90.6	Very high	69 Å²	69	43.2 Å²	43.2	42%	0.423	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.3	174.6	-51.9	0	0	0	0	110.1	T15 I351	T15-T84 WeakPolarHBondContact O-CA 3.14Å; T84-I351 HydrophobicContact CG2-CD1 4.34Å
85	M	94.7	Very high	90.7	Very high	1 Å²	1	45 Å²	45	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	173.5	-179.6	-47.4	-179.1	-146.3	0	0	110.4	C14 T15 V16 R17 L37 I55 R56 L67 I73 M77 F83	C14-M85 VanDerWaalsContact SG-CE 3.5Å; T15-M85 PolarHBondContact O-N 3.35Å; V16-M85 WeakPolarHBondContact CA-O 3.41Å; V16-M85 HydrophobicContact CG2-CB 4.3Å; R17-M85 PolarHBondContact N-O 2.97Å; L37-M85 HydrophobicContact CD2-CE 4.02Å; L37-M85 HydrophobicContact CD2-SD 4.02Å; I55-M85 HydrophobicContact CG2-CB 3.55Å; I55-M85 HydrophobicContact CG2-CG 4.18Å; I55-M85 HydrophobicContact CG2-SD 3.61Å; R56-M85 CarbonylContact O-C 3.48Å; R56-M85 WeakPolarHBondContact O-CA 3.47Å; L67-M85 HydrophobicContact CD1-SD 4.43Å; L67-M85 HydrophobicContact CD2-SD 4.14Å; I73-M85 HydrophobicContact CG2-CE 3.42Å; I73-M85 VanDerWaalsContact CG2-CE 3.42Å; M77-M85 HydrophobicContact CE-CE 4.36Å; M77-M85 HydrophobicContact CE-CG 4.21Å; M77-M85 HydrophobicContact CG-CE 4.33Å; M77-M85 HydrophobicContact SD-CE 3.78Å; M77-M85 HydrophobicContact SD-CG 4.21Å; M77-M85 HydrophobicContact SD-SD 4.13Å; F83-M85 HydrophobicContact CB-CE 3.76Å; F83-M85 HydrophobicContact CD2-CE 4.5Å; F83-M85 HydrophobicContact CG-CE 4.42Å
86	C	95.9	Very high	90.7	Very high	9 Å²	9	36.4 Å²	36.4	6%	0.061	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	134.4	177.9	-62.4	0	0	0	0	111.2	R17 I55 R56 R88 I351	R17-C86 CarbonylContact O-C 3.56Å; R17-C86 WeakPolarHBondContact O-CA 3.37Å; I55-C86 WeakPolarHBondContact CA-O 3.26Å; R56-C86 PolarHBondContact N-O 3.34Å; R56-C86 PolarHBondContact O-N 3.31Å; C86-R88 HydrophobicContact CB-CG 4.24Å; C86-I351 WeakPolarHBondContact SG-CD1 3.3Å
87	L	97.1	Very high	90.6	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	128.1	164.5	-175.7	71.8	0	0	0	109	V16 R17 L18 F38 I41 L45 F53 I55	V16-L87 HydrophobicContact CG1-CB 4.28Å; R17-L87 PolarHBondContact O-N 2.92Å; L18-L87 HydrophobicContact CD2-CB 4.23Å; L18-L87 HydrophobicContact CD2-CD2 4.2Å; F38-L87 HydrophobicContact CE2-CD1 4.05Å; I41-L87 HydrophobicContact CG2-CD1 4.37Å; I41-L87 HydrophobicContact CG2-CD2 4Å; L45-L87 HydrophobicContact CD1-CD2 3.5Å; F53-L87 HydrophobicContact CB-CD1 4.13Å; I55-L87 HydrophobicContact CG1-CD1 4.49Å
88	R	96.6	Very high	90.8	Very high	22 Å²	22	39.6 Å²	39.6	8%	0.083	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	158.3	179.5	-65.3	-64.9	178.5	-102.3	8.3	110.3	L18 F53 G54 W66 C86 K90	L18-R88 PolarHBondContact O-NH1 3.43Å; F53-R88 WeakPolarHBondContact CA-O 3.37Å; G54-R88 PolarHBondContact N-O 3.03Å; G54-R88 PolarHBondContact O-N 3.28Å; W66-R88 HydrophobicContact CH2-CB 3.86Å; W66-R88 HydrophobicContact CZ3-CB 4.14Å; C86-R88 HydrophobicContact CB-CG 4.24Å; R88-K90 PolarHBondContact O-N 3.04Å
89	V	96.8	Very high	91.3	Very high	6 Å²	6	33.8 Å²	33.8	4%	0.036	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	123.6	167.1	-179.3	0	0	0	0	107.4	L19 F53 F91 Y92 V108 Q111	L19-V89 HydrophobicContact CD1-CG2 4.45Å; F53-V89 HydrophobicContact CD1-CG2 4.12Å; F53-V89 HydrophobicContact CE1-CG2 3.85Å; V89-F91 VanDerWaalsContact CG1-O 3.29Å; V89-F91 WeakPolarHBondContact CG1-O 3.47Å; V89-Y92 HydrophobicContact CB-CE2 4.33Å; V89-Y92 HydrophobicContact CG1-CD1 4.23Å; V89-Y92 HydrophobicContact CG1-CD2 3.9Å; V89-Y92 HydrophobicContact CG1-CE1 4.46Å; V89-Y92 HydrophobicContact CG1-CE2 4.12Å; V89-Y92 HydrophobicContact CG1-CG 3.95Å; V89-V108 HydrophobicContact CG2-CG2 4.24Å; V89-Q111 HydrophobicContact CB-CB 4.26Å; V89-Q111 HydrophobicContact CB-CG 3.86Å; V89-Q111 HydrophobicContact CG2-CB 3.52Å; V89-Q111 HydrophobicContact CG2-CG 3.7Å
90	K	95.9	Very high	91.8	Very high	31 Å²	31	37.8 Å²	37.8	14%	0.135	21%	0.213	C	C	.	.	S	Bend	trans	-95.5	-40.4	177.5	-177	176.2	-179.8	179.8	0	110.8	Y52 W66 R88 E284	Y52-K90 PolarHBondContact O-N 3.08Å; W66-K90 HydrophobicContact CD2-CD 4.16Å; W66-K90 HydrophobicContact CD2-CG 4.2Å; W66-K90 HydrophobicContact CE3-CB 4.44Å; W66-K90 HydrophobicContact CE3-CD 4.25Å; W66-K90 HydrophobicContact CE3-CG 4.35Å; W66-K90 HydrophobicContact CH2-CB 3.73Å; W66-K90 HydrophobicContact CH2-CG 4.1Å; W66-K90 HydrophobicContact CZ2-CB 4.04Å; W66-K90 HydrophobicContact CZ2-CG 3.93Å; W66-K90 HydrophobicContact CZ3-CB 3.95Å; W66-K90 HydrophobicContact CZ3-CG 4.31Å; R88-K90 PolarHBondContact O-N 3.04Å; K90-E284 WeakPolarHBondContact CE-OE2 3.04Å; K90-E284 IonicContact NZ-OE1 3.75Å; K90-E284 PolarHBondContact NZ-OE1 3.28Å; K90-E284 IonicContact NZ-OE2 3.31Å; K90-E284 PolarHBondContact NZ-OE2 3.06Å
91	F	96.5	Very high	92.4	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.018	18%	0.18	C	C	.	.	S	Bend	trans	-121.6	114	175.7	-54.9	-69.1	0	0	0	108.5	D51 Y52 V89 E284 F288 Y289 Y314	D51-F91 WeakPolarHBondContact O-CD2 3.44Å; Y52-F91 HydrophobicContact CD1-CB 4.42Å; Y52-F91 WeakPolarHBondContact CD1-O 3.24Å; Y52-F91 PolarHBondContact O-N 2.65Å; V89-F91 VanDerWaalsContact CG1-O 3.29Å; V89-F91 WeakPolarHBondContact CG1-O 3.47Å; F91-E284 HydrophobicContact CE1-CB 4.24Å; F91-E284 HydrophobicContact CZ-CB 4.13Å; F91-F288 HydrophobicContact CB-CD1 3.71Å; F91-F288 HydrophobicContact CB-CD2 4.49Å; F91-F288 HydrophobicContact CB-CE1 3.45Å; F91-F288 VanDerWaalsContact CB-CE1 3.45Å; F91-F288 HydrophobicContact CB-CE2 4.27Å; F91-F288 HydrophobicContact CB-CG 4.23Å; F91-F288 HydrophobicContact CB-CZ 3.76Å; F91-F288 HydrophobicContact CD1-CB 3.83Å; F91-F288 AromaticContact CD1-CD1 3.77Å; F91-F288 HydrophobicContact CD1-CD1 3.77Å; F91-F288 HydrophobicContact CD1-CD2 4.26Å; F91-F288 HydrophobicContact CD1-CE1 4.4Å; F91-F288 AromaticContact CD1-CG 3.69Å; F91-F288 HydrophobicContact CD1-CG 3.69Å; F91-F288 HydrophobicContact CD2-CD1 4.36Å; F91-F288 AromaticContact CD2-CD2 3.75Å; F91-F288 HydrophobicContact CD2-CD2 3.75Å; F91-F288 HydrophobicContact CD2-CE1 4.44Å; F91-F288 AromaticContact CD2-CE2 3.83Å; F91-F288 HydrophobicContact CD2-CE2 3.83Å; F91-F288 HydrophobicContact CD2-CG 4.03Å; F91-F288 HydrophobicContact CD2-CZ 4.19Å; F91-F288 HydrophobicContact CE1-CB 3.69Å; F91-F288 HydrophobicContact CE1-CD1 4.48Å; F91-F288 HydrophobicContact CE1-CD2 4.43Å; F91-F288 AromaticContact CE1-CG 3.97Å; F91-F288 HydrophobicContact CE1-CG 3.97Å; F91-F288 AromaticContact CE2-CD2 3.92Å; F91-F288 HydrophobicContact CE2-CD2 3.92Å; F91-F288 HydrophobicContact CE2-CE2 4.36Å; F91-F288 HydrophobicContact CE2-CG 4.27Å; F91-F288 HydrophobicContact CG-CB 4.35Å; F91-F288 AromaticContact CG-CD1 3.69Å; F91-F288 HydrophobicContact CG-CD1 3.69Å; F91-F288 AromaticContact CG-CD2 3.92Å; F91-F288 HydrophobicContact CG-CD2 3.92Å; F91-F288 AromaticContact CG-CE1 3.88Å; F91-F288 HydrophobicContact CG-CE1 3.88Å; F91-F288 HydrophobicContact CG-CE2 4.08Å; F91-F288 AromaticContact CG-CG 3.72Å; F91-F288 HydrophobicContact CG-CG 3.72Å; F91-F288 HydrophobicContact CG-CZ 4.07Å; F91-F288 HydrophobicContact CZ-CB 4.07Å; F91-F288 HydrophobicContact CZ-CD2 4.26Å; F91-F288 HydrophobicContact CZ-CG 4.24Å; F91-Y289 VanDerWaalsContact C-OH 3.31Å; F91-Y289 VanDerWaalsContact CA-OH 3.23Å; F91-Y289 WeakPolarHBondContact CA-OH 3.28Å; F91-Y289 WeakPolarHBondContact CB-OH 3.26Å; F91-Y289 HydrophobicContact CD1-CE2 4.32Å; F91-Y314 HydrophobicContact CE2-CE2 4.23Å; F91-Y314 AromaticContact CZ-CE2 3.91Å; F91-Y314 HydrophobicContact CZ-CE2 3.91Å
92	Y	96.5	Very high	92.8	Very high	12 Å²	12	31.2 Å²	31.2	5%	0.047	18%	0.178	C	C	.	.			trans	-75.6	134.6	177.1	-71.8	-107.9	0	0	0	109.2	V89 Q111 V112 D115 Y200 P221 Y289	V89-Y92 HydrophobicContact CB-CE2 4.33Å; V89-Y92 HydrophobicContact CG1-CD1 4.23Å; V89-Y92 HydrophobicContact CG1-CD2 3.9Å; V89-Y92 HydrophobicContact CG1-CE1 4.46Å; V89-Y92 HydrophobicContact CG1-CE2 4.12Å; V89-Y92 HydrophobicContact CG1-CG 3.95Å; Y92-Q111 HydrophobicContact CE1-CG 3.95Å; Y92-Q111 VanDerWaalsContact OH-CG 3.31Å; Y92-Q111 WeakPolarHBondContact OH-CG 3.4Å; Y92-V112 HydrophobicContact CD1-CG2 4.31Å; Y92-V112 HydrophobicContact CE1-CG2 4.02Å; Y92-D115 PolarHBondContact OH-OD2 3.42Å; Y92-Y200 HydrophobicContact CD1-CE2 4.21Å; Y92-P221 WeakPolarHBondContact O-CG 3.38Å; Y92-Y289 PolarHBondContact N-OH 2.93Å; Y92-Y289 WeakPolarHBondContact O-CE1 3.4Å; Y92-Y289 PolarHBondContact O-OH 3.26Å
93	P	94.4	Very high	93.2	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.013	15%	0.153	C	C	.	.			trans	-64.8	132.5	174.1	27.3	-34.1	0	0	0	109.5	Y52 D95 P96 L99 V108 Y200	Y52-P93 HydrophobicContact CE1-CB 4.32Å; P93-D95 PolarHBondContact O-N 2.86Å; P93-P96 HydrophobicContact CG-CB 4.26Å; P93-P96 HydrophobicContact CG-CG 4.16Å; P93-L99 HydrophobicContact CB-CD1 4.46Å; P93-L99 HydrophobicContact CB-CD2 4.15Å; P93-L99 HydrophobicContact CB-CG 4.27Å; P93-L99 HydrophobicContact CG-CD1 4Å; P93-L99 HydrophobicContact CG-CG 4.35Å; P93-V108 HydrophobicContact CG-CG1 4.09Å; P93-V108 HydrophobicContact CG-CG2 4.23Å; P93-Y200 WeakPolarHBondContact O-CE1 3.44Å; P93-Y200 PolarHBondContact O-OH 3.46Å
94	P	92.4	Very high	93.4	Very high	49 Å²	49	27.4 Å²	27.4	32%	0.318	15%	0.153	S	C	.	.	S	Bend	trans	-60	-33	173.4	-20.2	28.8	0	0	0	112.8	Q195 P221 F222 Y289	P94-Q195 PolarHBondContact O-OE1 2.95Å; P94-P221 HydrophobicContact CB-CB 4.16Å; P94-P221 HydrophobicContact CG-CB 3.91Å; P94-F222 HydrophobicContact CB-CE1 4.17Å; P94-Y289 HydrophobicContact CG-CD1 4.39Å; P94-Y289 HydrophobicContact CG-CE1 4.38Å
95	D	92.3	Very high	93.6	Very high	71 Å²	71	26.6 Å²	26.6	38%	0.38	14%	0.142	S	C	.	.			trans	-131.5	101.4	173.8	178.9	5.6	0	0	0	109.3	P93 A97 A98	P93-D95 PolarHBondContact O-N 2.86Å; D95-A97 PolarHBondContact O-N 2.73Å; D95-A97 VanDerWaalsContact OD1-CB 3.26Å; D95-A97 WeakPolarHBondContact OD1-CB 3.49Å; D95-A97 PolarHBondContact OD1-N 3.36Å; D95-A98 HydrophobicContact CB-CB 4.11Å; D95-A98 WeakPolarHBondContact O-CB 3.14Å; D95-A98 PolarHBondContact O-N 3.31Å
96	P	90.8	Very high	93.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-64.7	-21.9	177.1	-19.6	32.7	0	0	0	113.8	P93 A98 L99 R105 L191 Y200	P93-P96 HydrophobicContact CG-CB 4.26Å; P93-P96 HydrophobicContact CG-CG 4.16Å; P96-A98 VanDerWaalsContact C-N 3.27Å; P96-L99 WeakPolarHBondContact O-CB 3.39Å; P96-L99 PolarHBondContact O-N 2.99Å; P96-R105 PolarHBondContact O-NE 3.14Å; P96-L191 HydrophobicContact CB-CB 3.86Å; P96-L191 HydrophobicContact CB-CD1 3.92Å; P96-L191 HydrophobicContact CB-CG 4.33Å; P96-L191 HydrophobicContact CG-CB 4.07Å; P96-Y200 WeakPolarHBondContact CG-OH 3.16Å
97	A	88.8	Confident	93.5	Very high	34 Å²	34	26.7 Å²	26.7	28%	0.281	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-72	-26.2	177.1	0	0	0	0	0	111.6	D95 L99 R105 L188	D95-A97 PolarHBondContact O-N 2.73Å; D95-A97 VanDerWaalsContact OD1-CB 3.26Å; D95-A97 WeakPolarHBondContact OD1-CB 3.49Å; D95-A97 PolarHBondContact OD1-N 3.36Å; A97-L99 VanDerWaalsContact C-N 3.25Å; A97-L99 PolarHBondContact O-N 3.12Å; A97-R105 PolarHBondContact O-NH2 2.84Å; A97-L188 HydrophobicContact CB-CD1 3.88Å
98	A	88.7	Confident	93.5	Very high	55 Å²	55	26.6 Å²	26.6	46%	0.455	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-75	-10.3	175.6	0	0	0	0	0	113.9	D95 P96 K100 M323	D95-A98 HydrophobicContact CB-CB 4.11Å; D95-A98 WeakPolarHBondContact O-CB 3.14Å; D95-A98 PolarHBondContact O-N 3.31Å; P96-A98 VanDerWaalsContact C-N 3.27Å; A98-K100 PolarHBondContact O-N 3.46Å; A98-M323 HydrophobicContact CB-CE 4.4Å
99	L	92.1	Very high	93.5	Very high	6 Å²	6	25.7 Å²	25.7	3%	0.031	14%	0.137	C	C	.	.			trans	-63.2	131.9	174.3	-69.9	176.2	0	0	0	110.7	Y52 P93 P96 A97 T104 R105 V108	Y52-L99 HydrophobicContact CD2-CD2 4.16Å; Y52-L99 HydrophobicContact CE2-CD2 3.53Å; P93-L99 HydrophobicContact CB-CD1 4.46Å; P93-L99 HydrophobicContact CB-CD2 4.15Å; P93-L99 HydrophobicContact CB-CG 4.27Å; P93-L99 HydrophobicContact CG-CD1 4Å; P93-L99 HydrophobicContact CG-CG 4.35Å; P96-L99 WeakPolarHBondContact O-CB 3.39Å; P96-L99 PolarHBondContact O-N 2.99Å; A97-L99 VanDerWaalsContact C-N 3.25Å; A97-L99 PolarHBondContact O-N 3.12Å; L99-T104 HydrophobicContact CD1-CG2 3.86Å; L99-T104 HydrophobicContact CD2-CG2 3.91Å; L99-T104 HydrophobicContact CG-CG2 4.4Å; L99-R105 HydrophobicContact CD1-CB 4.2Å; L99-R105 PolarHBondContact O-NH2 3.33Å; L99-V108 HydrophobicContact CD1-CG2 4.17Å
100	K	91.1	Very high	93.4	Very high	127 Å²	127	25.5 Å²	25.5	55%	0.552	14%	0.136	S	C	*	.	S	Bend	trans	-78.3	-41.6	-174	-178.4	59.1	179	173.4	0	112	E49 A98 I329	E49-K100 PolarHBondContact OE1-N 3.23Å; A98-K100 PolarHBondContact O-N 3.46Å; K100-I329 HydrophobicContact CG-CB 4.45Å
101	E	91.4	Very high	93.5	Very high	7 Å²	7	24.3 Å²	24.3	3%	0.033	13%	0.131	C	C	.	.			trans	-94	135.3	-178.8	-54	-161	106.9	0	0	111.7	L48 E49 I103 T104 R105 I329 R331	L48-E101 VanDerWaalsContact CB-OE2 3.24Å; L48-E101 WeakPolarHBondContact CB-OE2 3.41Å; L48-E101 PolarHBondContact N-OE2 3.34Å; E49-E101 HydrophobicContact CG-CG 4.12Å; E49-E101 WeakPolarHBondContact OE2-CB 3.4Å; E49-E101 PolarHBondContact OE2-N 2.82Å; E101-I103 VanDerWaalsContact C-N 3.33Å; E101-I103 HydrophobicContact CB-CG2 3.98Å; E101-I103 PolarHBondContact O-N 3.04Å; E101-T104 WeakPolarHBondContact O-CB 3.42Å; E101-T104 PolarHBondContact O-N 3.25Å; E101-R105 PolarHBondContact O-N 3.34Å; E101-I329 HydrophobicContact CG-CD1 4.03Å; E101-R331 IonicContact OE1-CZ 3.14Å; E101-R331 IonicContact OE1-NE 2.81Å; E101-R331 PolarHBondContact OE1-NE 2.87Å; E101-R331 IonicContact OE1-NH2 2.66Å; E101-R331 PolarHBondContact OE1-NH2 3Å; E101-R331 IonicContact OE2-NH2 3.54Å
102	E	90.8	Very high	93.4	Very high	54 Å²	54	24.2 Å²	24.2	25%	0.252	13%	0.131	S	C	.	.	H	α-helix	trans	-63.7	-38.5	176.3	-167	-171.5	138.1	0	0	112.1	T104 R105 Y106 E184 P333 I336 R339	E102-T104 VanDerWaalsContact C-N 3.31Å; E102-T104 PolarHBondContact O-N 2.89Å; E102-R105 WeakPolarHBondContact O-CB 3.33Å; E102-R105 PolarHBondContact O-N 3.23Å; E102-R105 VanDerWaalsContact O-N 3.12Å; E102-Y106 WeakPolarHBondContact O-CB 3.46Å; E102-Y106 PolarHBondContact O-N 3.49Å; E102-E184 WeakPolarHBondContact OE1-CG 3.49Å; E102-P333 HydrophobicContact CB-CB 4.48Å; E102-I336 HydrophobicContact CB-CD1 4.4Å; E102-I336 HydrophobicContact CG-CD1 3.99Å; E102-R339 IonicContact OE1-CZ 3.15Å; E102-R339 IonicContact OE1-NH1 2.69Å; E102-R339 PolarHBondContact OE1-NH1 3.35Å; E102-R339 IonicContact OE1-NH2 2.75Å; E102-R339 PolarHBondContact OE1-NH2 2.98Å
103	I	92.3	Very high	93.3	Very high	14 Å²	14	25 Å²	25	7%	0.072	14%	0.135	C	C	.	.	H	α-helix	trans	-59.4	-41.1	176.6	-177.9	61.8	0	0	0	111.8	L47 E101 R105 Y106 L107 P334 I336	L47-I103 HydrophobicContact CD1-CG2 4.4Å; E101-I103 VanDerWaalsContact C-N 3.33Å; E101-I103 HydrophobicContact CB-CG2 3.98Å; E101-I103 PolarHBondContact O-N 3.04Å; I103-R105 VanDerWaalsContact C-N 3.34Å; I103-R105 PolarHBondContact O-N 2.84Å; I103-Y106 HydrophobicContact CD1-CD1 4.44Å; I103-Y106 PolarHBondContact O-N 3.44Å; I103-L107 HydrophobicContact CD1-CD1 4.48Å; I103-L107 HydrophobicContact CD1-CG 4.26Å; I103-L107 HydrophobicContact CG1-CD1 4.26Å; I103-L107 HydrophobicContact CG1-CG 4.47Å; I103-L107 WeakPolarHBondContact O-CB 3.37Å; I103-L107 VanDerWaalsContact O-CG 3.26Å; I103-L107 WeakPolarHBondContact O-CG 3.45Å; I103-L107 PolarHBondContact O-N 3.42Å; I103-P334 HydrophobicContact CB-CG 3.92Å; I103-P334 HydrophobicContact CG2-CG 3.64Å; I103-I336 HydrophobicContact CB-CD1 4.37Å; I103-I336 HydrophobicContact CB-CG1 4.49Å; I103-I336 HydrophobicContact CD1-CD1 4.33Å; I103-I336 HydrophobicContact CD1-CG1 4.07Å
104	T	94.8	Very high	93.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.7	-46.4	176	-51.3	0	0	0	0	110.3	E49 Y52 F53 L99 E101 E102 Y106 L107 V108	E49-T104 HydrophobicContact CB-CG2 3.86Å; E49-T104 WeakPolarHBondContact CB-OG1 3.28Å; E49-T104 WeakPolarHBondContact OE2-CB 3.3Å; E49-T104 PolarHBondContact OE2-OG1 3.3Å; Y52-T104 HydrophobicContact CD2-CG2 4.13Å; F53-T104 HydrophobicContact CE2-CG2 3.98Å; F53-T104 HydrophobicContact CZ-CG2 4.14Å; L99-T104 HydrophobicContact CD1-CG2 3.86Å; L99-T104 HydrophobicContact CD2-CG2 3.91Å; L99-T104 HydrophobicContact CG-CG2 4.4Å; E101-T104 WeakPolarHBondContact O-CB 3.42Å; E101-T104 PolarHBondContact O-N 3.25Å; E102-T104 VanDerWaalsContact C-N 3.31Å; E102-T104 PolarHBondContact O-N 2.89Å; T104-Y106 PolarHBondContact O-N 2.97Å; T104-L107 PolarHBondContact O-N 3.08Å; T104-V108 WeakPolarHBondContact O-CG2 3.48Å; T104-V108 PolarHBondContact O-N 3.35Å
105	R	94.9	Very high	93.2	Very high	52 Å²	52	24.1 Å²	24.1	20%	0.196	13%	0.125	C	C	.	.	H	α-helix	trans	-61.2	-44.7	178.4	-170.2	-177.4	-59.1	167.7	6.5	111.5	P96 A97 L99 E101 E102 I103 V108 F109 L191	P96-R105 PolarHBondContact O-NE 3.14Å; A97-R105 PolarHBondContact O-NH2 2.84Å; L99-R105 HydrophobicContact CD1-CB 4.2Å; L99-R105 PolarHBondContact O-NH2 3.33Å; E101-R105 PolarHBondContact O-N 3.34Å; E102-R105 WeakPolarHBondContact O-CB 3.33Å; E102-R105 PolarHBondContact O-N 3.23Å; E102-R105 VanDerWaalsContact O-N 3.12Å; I103-R105 VanDerWaalsContact C-N 3.34Å; I103-R105 PolarHBondContact O-N 2.84Å; R105-V108 PolarHBondContact O-N 2.94Å; R105-F109 PolarHBondContact O-N 2.93Å; R105-L191 HydrophobicContact CG-CD1 3.49Å; R105-L191 VanDerWaalsContact CG-CD1 3.49Å
106	Y	94.7	Very high	93.2	Very high	6 Å²	6	20.9 Å²	20.9	2%	0.024	11%	0.108	C	C	.	.	H	α-helix	trans	-61.7	-43.9	176.6	177	-105.6	0	0	0	112.5	E102 I103 T104 V108 F109 L110 E187 I336 S338 R339	E102-Y106 WeakPolarHBondContact O-CB 3.46Å; E102-Y106 PolarHBondContact O-N 3.49Å; I103-Y106 HydrophobicContact CD1-CD1 4.44Å; I103-Y106 PolarHBondContact O-N 3.44Å; T104-Y106 PolarHBondContact O-N 2.97Å; Y106-V108 VanDerWaalsContact C-N 3.33Å; Y106-V108 PolarHBondContact O-N 3.3Å; Y106-F109 HydrophobicContact CD2-CD1 4.22Å; Y106-F109 HydrophobicContact CE2-CD1 4.29Å; Y106-F109 WeakPolarHBondContact O-CB 3.45Å; Y106-F109 PolarHBondContact O-N 2.81Å; Y106-L110 HydrophobicContact CD1-CD1 4.02Å; Y106-L110 HydrophobicContact CD1-CG 4.43Å; Y106-L110 HydrophobicContact CE1-CD1 3.42Å; Y106-L110 VanDerWaalsContact CE1-CD1 3.42Å; Y106-L110 HydrophobicContact CE1-CG 4.01Å; Y106-L110 HydrophobicContact CE2-CD2 4.39Å; Y106-L110 HydrophobicContact CE2-CG 4.38Å; Y106-L110 WeakPolarHBondContact O-CG 3.39Å; Y106-L110 PolarHBondContact O-N 3.35Å; Y106-E187 WeakPolarHBondContact CD2-OE1 3.33Å; Y106-E187 WeakPolarHBondContact CD2-OE2 3.38Å; Y106-E187 WeakPolarHBondContact CE2-OE1 3.48Å; Y106-I336 HydrophobicContact CD1-CG2 3.59Å; Y106-I336 HydrophobicContact CD2-CG2 4.44Å; Y106-I336 HydrophobicContact CE1-CG2 3.64Å; Y106-I336 HydrophobicContact CE2-CG2 4.48Å; Y106-I336 HydrophobicContact CG-CD1 4.2Å; Y106-I336 HydrophobicContact CG-CG2 4Å; Y106-S338 WeakPolarHBondContact CE1-OG 3.22Å; Y106-S338 PolarHBondContact OH-OG 3.43Å; Y106-R339 HydrophobicContact CE2-CG 4.29Å
107	L	95.8	Very high	93.2	Very high	6 Å²	6	23 Å²	23	3%	0.031	12%	0.116	C	C	.	.	H	α-helix	trans	-63.7	-38.2	175.9	-69	175.2	0	0	0	112	L19 L45 L47 F53 I103 T104 L110 Q111	L19-L107 HydrophobicContact CB-CD2 4.05Å; L19-L107 HydrophobicContact CD1-CB 3.82Å; L19-L107 HydrophobicContact CD1-CD2 4.09Å; L19-L107 HydrophobicContact CD1-CG 4.45Å; L45-L107 HydrophobicContact CD1-CD1 4.4Å; L47-L107 HydrophobicContact CD1-CD1 4.1Å; L47-L107 HydrophobicContact CD2-CD1 4.23Å; F53-L107 HydrophobicContact CE1-CB 3.64Å; F53-L107 HydrophobicContact CE1-CD1 4.11Å; F53-L107 HydrophobicContact CZ-CB 3.69Å; F53-L107 HydrophobicContact CZ-CD1 3.91Å; F53-L107 HydrophobicContact CZ-CG 4.48Å; I103-L107 HydrophobicContact CD1-CD1 4.48Å; I103-L107 HydrophobicContact CD1-CG 4.26Å; I103-L107 HydrophobicContact CG1-CD1 4.26Å; I103-L107 HydrophobicContact CG1-CG 4.47Å; I103-L107 WeakPolarHBondContact O-CB 3.37Å; I103-L107 VanDerWaalsContact O-CG 3.26Å; I103-L107 WeakPolarHBondContact O-CG 3.45Å; I103-L107 PolarHBondContact O-N 3.42Å; T104-L107 PolarHBondContact O-N 3.08Å; L107-L110 HydrophobicContact CD2-CD1 4.48Å; L107-L110 PolarHBondContact O-N 3.02Å; L107-Q111 PolarHBondContact O-N 2.91Å; L107-Q111 VanDerWaalsContact O-N 3.1Å
108	V	96.4	Very high	93.2	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65	-42.4	172.4	175	0	0	0	0	110.8	F53 V89 P93 L99 T104 R105 Y106 L110 Q111 V112 L191	F53-V108 HydrophobicContact CZ-CG2 4.48Å; V89-V108 HydrophobicContact CG2-CG2 4.24Å; P93-V108 HydrophobicContact CG-CG1 4.09Å; P93-V108 HydrophobicContact CG-CG2 4.23Å; L99-V108 HydrophobicContact CD1-CG2 4.17Å; T104-V108 WeakPolarHBondContact O-CG2 3.48Å; T104-V108 PolarHBondContact O-N 3.35Å; R105-V108 PolarHBondContact O-N 2.94Å; Y106-V108 VanDerWaalsContact C-N 3.33Å; Y106-V108 PolarHBondContact O-N 3.3Å; V108-L110 PolarHBondContact O-N 2.86Å; V108-Q111 WeakPolarHBondContact O-CB 3.36Å; V108-Q111 PolarHBondContact O-N 2.91Å; V108-V112 HydrophobicContact CG1-CG2 4.25Å; V108-V112 WeakPolarHBondContact O-CG2 3.38Å; V108-V112 PolarHBondContact O-N 2.79Å; V108-L191 HydrophobicContact CG1-CD2 3.91Å
109	F	96.5	Very high	93.1	Very high	3 Å²	3	25 Å²	25	1%	0.013	12%	0.12	C	C	.	.	H	α-helix	trans	-54.9	-48.3	172.4	163	-99.1	0	0	0	111.7	R105 Y106 Q111 V112 K113 I135 E187 F190 L191	R105-F109 PolarHBondContact O-N 2.93Å; Y106-F109 HydrophobicContact CD2-CD1 4.22Å; Y106-F109 HydrophobicContact CE2-CD1 4.29Å; Y106-F109 WeakPolarHBondContact O-CB 3.45Å; Y106-F109 PolarHBondContact O-N 2.81Å; F109-Q111 VanDerWaalsContact C-N 3.3Å; F109-Q111 PolarHBondContact O-N 3.18Å; F109-V112 PolarHBondContact O-N 2.82Å; F109-K113 HydrophobicContact CE1-CD 4.31Å; F109-K113 HydrophobicContact CZ-CD 4.12Å; F109-K113 VanDerWaalsContact O-CB 3.27Å; F109-K113 WeakPolarHBondContact O-CB 3.48Å; F109-K113 PolarHBondContact O-N 2.88Å; F109-I135 HydrophobicContact CE2-CG1 4.11Å; F109-I135 HydrophobicContact CZ-CG1 4.13Å; F109-E187 HydrophobicContact CD1-CG 3.92Å; F109-E187 HydrophobicContact CD2-CB 4.19Å; F109-E187 HydrophobicContact CD2-CG 4.19Å; F109-E187 HydrophobicContact CE1-CG 3.97Å; F109-E187 HydrophobicContact CE2-CG 4.25Å; F109-E187 HydrophobicContact CG-CB 4.19Å; F109-E187 HydrophobicContact CG-CG 4.03Å; F109-E187 HydrophobicContact CZ-CG 4.14Å; F109-F190 HydrophobicContact CD2-CB 4.21Å; F109-F190 AromaticContact CD2-CD1 3.44Å; F109-F190 HydrophobicContact CD2-CD1 3.44Å; F109-F190 VanDerWaalsContact CD2-CD1 3.44Å; F109-F190 AromaticContact CD2-CE1 3.92Å; F109-F190 HydrophobicContact CD2-CE1 3.92Å; F109-F190 AromaticContact CD2-CG 3.88Å; F109-F190 HydrophobicContact CD2-CG 3.88Å; F109-F190 HydrophobicContact CE2-CB 4.12Å; F109-F190 AromaticContact CE2-CD1 3.75Å; F109-F190 HydrophobicContact CE2-CD1 3.75Å; F109-F190 HydrophobicContact CE2-CD2 4.21Å; F109-F190 HydrophobicContact CE2-CE1 4.17Å; F109-F190 AromaticContact CE2-CG 3.77Å; F109-F190 HydrophobicContact CE2-CG 3.77Å; F109-L191 HydrophobicContact CB-CD1 4.05Å; F109-L191 HydrophobicContact CB-CD2 4.33Å; F109-L191 HydrophobicContact CB-CG 4.19Å
110	L	95.4	Very high	93	Very high	3 Å²	3	27 Å²	27	2%	0.016	13%	0.127	C	C	.	.	H	α-helix	trans	-61.6	-36.4	178	-69.7	178.9	0	0	0	113.1	L19 D20 Y106 L107 V108 R114 M342	L19-L110 HydrophobicContact CB-CB 4.17Å; L19-L110 HydrophobicContact CB-CD1 4.26Å; D20-L110 HydrophobicContact CB-CD1 3.81Å; Y106-L110 HydrophobicContact CD1-CD1 4.02Å; Y106-L110 HydrophobicContact CD1-CG 4.43Å; Y106-L110 HydrophobicContact CE1-CD1 3.42Å; Y106-L110 VanDerWaalsContact CE1-CD1 3.42Å; Y106-L110 HydrophobicContact CE1-CG 4.01Å; Y106-L110 HydrophobicContact CE2-CD2 4.39Å; Y106-L110 HydrophobicContact CE2-CG 4.38Å; Y106-L110 WeakPolarHBondContact O-CG 3.39Å; Y106-L110 PolarHBondContact O-N 3.35Å; L107-L110 HydrophobicContact CD2-CD1 4.48Å; L107-L110 PolarHBondContact O-N 3.02Å; V108-L110 PolarHBondContact O-N 2.86Å; L110-R114 WeakPolarHBondContact O-CB 3.03Å; L110-R114 PolarHBondContact O-N 2.98Å; L110-R114 VanDerWaalsContact O-N 3.12Å; L110-R114 PolarHBondContact O-NH1 3.14Å; L110-M342 HydrophobicContact CD2-SD 4.47Å
111	Q	96.1	Very high	93	Very high	6 Å²	6	21.3 Å²	21.3	3%	0.028	10%	0.102	C	C	.	.	H	α-helix	trans	-66.1	-49	173.9	179.6	67.8	56.6	0	0	111.5	L19 V89 Y92 L107 V108 F109 K113 R114 D115	L19-Q111 HydrophobicContact CD2-CB 3.9Å; L19-Q111 VanDerWaalsContact CD2-OE1 3.25Å; V89-Q111 HydrophobicContact CB-CB 4.26Å; V89-Q111 HydrophobicContact CB-CG 3.86Å; V89-Q111 HydrophobicContact CG2-CB 3.52Å; V89-Q111 HydrophobicContact CG2-CG 3.7Å; Y92-Q111 HydrophobicContact CE1-CG 3.95Å; Y92-Q111 VanDerWaalsContact OH-CG 3.31Å; Y92-Q111 WeakPolarHBondContact OH-CG 3.4Å; L107-Q111 PolarHBondContact O-N 2.91Å; L107-Q111 VanDerWaalsContact O-N 3.1Å; V108-Q111 WeakPolarHBondContact O-CB 3.36Å; V108-Q111 PolarHBondContact O-N 2.91Å; F109-Q111 VanDerWaalsContact C-N 3.3Å; F109-Q111 PolarHBondContact O-N 3.18Å; Q111-K113 VanDerWaalsContact C-N 3.35Å; Q111-K113 PolarHBondContact O-N 2.79Å; Q111-R114 CarbonylContact O-C 3.45Å; Q111-R114 WeakPolarHBondContact O-CA 3.33Å; Q111-R114 WeakPolarHBondContact O-CB 3.43Å; Q111-R114 PolarHBondContact O-N 2.8Å; Q111-R114 VanDerWaalsContact O-N 3.11Å; Q111-D115 PolarHBondContact NE2-OD1 3.48Å; Q111-D115 VanDerWaalsContact NE2-OD1 3.11Å; Q111-D115 VanDerWaalsContact O-CG 3.27Å; Q111-D115 PolarHBondContact O-N 3.08Å
112	V	95.8	Very high	92.9	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	12%	0.116	C	C	.	.	H	α-helix	trans	-69.1	-34.9	-177.2	179.9	0	0	0	0	111	Y92 V108 F109 R114 D115 L116 L121 F190 L191 A194 Y200	Y92-V112 HydrophobicContact CD1-CG2 4.31Å; Y92-V112 HydrophobicContact CE1-CG2 4.02Å; V108-V112 HydrophobicContact CG1-CG2 4.25Å; V108-V112 WeakPolarHBondContact O-CG2 3.38Å; V108-V112 PolarHBondContact O-N 2.79Å; F109-V112 PolarHBondContact O-N 2.82Å; V112-R114 VanDerWaalsContact C-N 3.31Å; V112-R114 PolarHBondContact O-N 3.18Å; V112-D115 PolarHBondContact O-N 3.18Å; V112-D115 VanDerWaalsContact O-N 3.15Å; V112-L116 PolarHBondContact O-N 2.95Å; V112-L121 HydrophobicContact CG1-CD2 3.79Å; V112-F190 HydrophobicContact CB-CE1 3.89Å; V112-F190 HydrophobicContact CG1-CE1 3.55Å; V112-F190 HydrophobicContact CG1-CZ 4.03Å; V112-L191 HydrophobicContact CB-CD2 4.29Å; V112-L191 HydrophobicContact CG2-CD2 4.05Å; V112-A194 HydrophobicContact CG1-CB 3.7Å; V112-Y200 HydrophobicContact CG2-CE2 3.95Å
113	K	94.3	Very high	92.8	Very high	30 Å²	30	22.7 Å²	22.7	13%	0.13	11%	0.114	C	C	.	.	H	α-helix	trans	-56.4	-44.8	168.2	179.4	169.9	81.9	173.4	0	111.3	F109 Q111 D115 L116 Y117 I135 E139	F109-K113 HydrophobicContact CE1-CD 4.31Å; F109-K113 HydrophobicContact CZ-CD 4.12Å; F109-K113 VanDerWaalsContact O-CB 3.27Å; F109-K113 WeakPolarHBondContact O-CB 3.48Å; F109-K113 PolarHBondContact O-N 2.88Å; Q111-K113 VanDerWaalsContact C-N 3.35Å; Q111-K113 PolarHBondContact O-N 2.79Å; K113-D115 VanDerWaalsContact C-N 3.35Å; K113-L116 WeakPolarHBondContact O-CB 3.49Å; K113-L116 PolarHBondContact O-N 2.94Å; K113-Y117 PolarHBondContact O-N 2.93Å; K113-I135 HydrophobicContact CB-CD1 4.5Å; K113-I135 HydrophobicContact CD-CD1 4.14Å; K113-I135 HydrophobicContact CD-CG1 4.13Å; K113-I135 HydrophobicContact CD-CG2 3.71Å; K113-I135 HydrophobicContact CG-CD1 3.85Å; K113-I135 HydrophobicContact CG-CG1 4.3Å; K113-E139 IonicContact NZ-OE1 2.69Å; K113-E139 PolarHBondContact NZ-OE1 3.37Å
114	R	92.6	Very high	92.8	Very high	26 Å²	26	28.8 Å²	28.8	10%	0.098	14%	0.139	C	C	.	.	H	α-helix	trans	-66.1	-36.3	175.5	177.4	-180	-68.3	100.8	-3.2	112.2	L19 D21 L110 Q111 V112 Y117 H118	L19-R114 PolarHBondContact O-NH1 2.56Å; L19-R114 VanDerWaalsContact O-NH1 3.08Å; L19-R114 PolarHBondContact O-NH2 3.26Å; D21-R114 VanDerWaalsContact CG-NH2 3.25Å; D21-R114 IonicContact OD1-CZ 3.94Å; D21-R114 IonicContact OD1-NH2 2.94Å; D21-R114 PolarHBondContact OD1-NH2 3.4Å; D21-R114 IonicContact OD2-NH2 3.86Å; D21-R114 PolarHBondContact OD2-NH2 3.38Å; L110-R114 WeakPolarHBondContact O-CB 3.03Å; L110-R114 PolarHBondContact O-N 2.98Å; L110-R114 VanDerWaalsContact O-N 3.12Å; L110-R114 PolarHBondContact O-NH1 3.14Å; Q111-R114 CarbonylContact O-C 3.45Å; Q111-R114 WeakPolarHBondContact O-CA 3.33Å; Q111-R114 WeakPolarHBondContact O-CB 3.43Å; Q111-R114 PolarHBondContact O-N 2.8Å; Q111-R114 VanDerWaalsContact O-N 3.11Å; V112-R114 VanDerWaalsContact C-N 3.31Å; V112-R114 PolarHBondContact O-N 3.18Å; R114-Y117 PolarHBondContact O-N 3.29Å; R114-H118 PolarHBondContact O-CD2 3.19Å; R114-H118 VanDerWaalsContact O-CD2 3.28Å; R114-H118 PolarHBondContact O-N 3.44Å
115	D	92.9	Very high	92.5	Very high	6 Å²	6	32 Å²	32	3%	0.032	16%	0.159	C	C	.	.	H	α-helix	trans	-67.6	-36.6	176.2	-64.6	-27.2	0	0	0	111.5	Y92 Q111 V112 K113 G119 R120 L121	Y92-D115 PolarHBondContact OH-OD2 3.42Å; Q111-D115 PolarHBondContact NE2-OD1 3.48Å; Q111-D115 VanDerWaalsContact NE2-OD1 3.11Å; Q111-D115 VanDerWaalsContact O-CG 3.27Å; Q111-D115 PolarHBondContact O-N 3.08Å; V112-D115 PolarHBondContact O-N 3.18Å; V112-D115 VanDerWaalsContact O-N 3.15Å; K113-D115 VanDerWaalsContact C-N 3.35Å; D115-G119 PolarHBondContact O-N 3.45Å; D115-R120 HydrophobicContact CB-CB 4.08Å; D115-R120 WeakPolarHBondContact O-CB 3.45Å; D115-R120 PolarHBondContact O-N 3.13Å; D115-L121 PolarHBondContact O-N 3.49Å
116	L	91.8	Very high	92.3	Very high	2 Å²	2	33 Å²	33	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-62.9	-49.4	170.4	-170.4	65.9	0	0	0	111.3	V112 K113 H118 G119 L121 L131 I135 F159 F190	V112-L116 PolarHBondContact O-N 2.95Å; K113-L116 WeakPolarHBondContact O-CB 3.49Å; K113-L116 PolarHBondContact O-N 2.94Å; L116-H118 VanDerWaalsContact C-N 3.32Å; L116-H118 PolarHBondContact O-N 2.89Å; L116-G119 PolarHBondContact O-N 2.82Å; L116-L121 HydrophobicContact CD1-CB 4.31Å; L116-L121 HydrophobicContact CD1-CD2 4.25Å; L116-L131 HydrophobicContact CD1-CD1 4.22Å; L116-L131 HydrophobicContact CD2-CB 3.99Å; L116-I135 HydrophobicContact CD2-CD1 3.88Å; L116-F159 HydrophobicContact CD1-CD1 4.27Å; L116-F159 HydrophobicContact CD1-CE1 3.55Å; L116-F159 HydrophobicContact CD1-CZ 4.42Å; L116-F159 HydrophobicContact CD2-CE1 3.92Å; L116-F159 HydrophobicContact CD2-CZ 4.11Å; L116-F159 HydrophobicContact CG-CD1 4.17Å; L116-F159 HydrophobicContact CG-CE1 3.61Å; L116-F159 HydrophobicContact CG-CZ 4.31Å; L116-F190 HydrophobicContact CD2-CE2 4.07Å; L116-F190 HydrophobicContact CD2-CZ 4.37Å
117	Y	90	Very high	92.3	Very high	44 Å²	44	34.1 Å²	34.1	17%	0.173	18%	0.181	C	C	.	.	H	α-helix	trans	-59.8	-38.7	179.3	175.3	-98.9	0	0	0	113.3	K113 R114 G119 Q157 F158 P160 S347	K113-Y117 PolarHBondContact O-N 2.93Å; R114-Y117 PolarHBondContact O-N 3.29Å; Y117-G119 VanDerWaalsContact C-N 3.29Å; Y117-G119 PolarHBondContact O-N 2.76Å; Y117-Q157 WeakPolarHBondContact CD2-O 3.32Å; Y117-Q157 HydrophobicContact CE2-CB 3.94Å; Y117-F158 VanDerWaalsContact CA-O 3.3Å; Y117-F158 WeakPolarHBondContact CA-O 3Å; Y117-P160 WeakPolarHBondContact O-CD 3.36Å; Y117-P160 WeakPolarHBondContact O-CG 3.34Å; Y117-S347 VanDerWaalsContact CE1-CB 3.48Å; Y117-S347 WeakPolarHBondContact CE2-OG 3.42Å; Y117-S347 PolarHBondContact OH-O 3.49Å; Y117-S347 PolarHBondContact OH-OG 3.05Å
118	H	88.2	Confident	92.2	Very high	97 Å²	97	34.1 Å²	34.1	45%	0.449	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	5.3	177.8	-70.6	-54.2	0	0	0	113.9	R114 L116 R120	R114-H118 PolarHBondContact O-CD2 3.19Å; R114-H118 VanDerWaalsContact O-CD2 3.28Å; R114-H118 PolarHBondContact O-N 3.44Å; L116-H118 VanDerWaalsContact C-N 3.32Å; L116-H118 PolarHBondContact O-N 2.89Å; H118-R120 VanDerWaalsContact C-N 3.29Å; H118-R120 HydrophobicContact CB-CG 4.39Å; H118-R120 PolarHBondContact O-N 3.47Å
119	G	87.2	Confident	92	Very high	36 Å²	36	34.1 Å²	34.1	37%	0.371	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	22.8	178.8	0	0	0	0	0	114.5	D115 L116 Y117	D115-G119 PolarHBondContact O-N 3.45Å; L116-G119 PolarHBondContact O-N 2.82Å; Y117-G119 VanDerWaalsContact C-N 3.29Å; Y117-G119 PolarHBondContact O-N 2.76Å
120	R	89.5	Confident	92	Very high	47 Å²	47	35.6 Å²	35.6	18%	0.177	19%	0.189	C	C	.	.			trans	-81.3	-32.7	174	-61.7	178.6	-178.9	-156.5	-11.8	111.9	D115 H118 L122 T199 D203	D115-R120 HydrophobicContact CB-CB 4.08Å; D115-R120 WeakPolarHBondContact O-CB 3.45Å; D115-R120 PolarHBondContact O-N 3.13Å; H118-R120 VanDerWaalsContact C-N 3.29Å; H118-R120 HydrophobicContact CB-CG 4.39Å; H118-R120 PolarHBondContact O-N 3.47Å; R120-L122 PolarHBondContact O-N 3.32Å; R120-T199 WeakPolarHBondContact O-CB 3.27Å; R120-D203 IonicContact CZ-OD1 2.78Å; R120-D203 IonicContact NH1-OD1 3.71Å; R120-D203 PolarHBondContact NH1-OD1 3.08Å; R120-D203 IonicContact NH2-OD1 3.96Å
121	L	91.8	Very high	92	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.037	19%	0.189	C	C	.	.	S	Bend	trans	-89.9	92.1	175.4	-169.6	64.9	0	0	0	109.8	V112 D115 L116 L131 A194 L197	V112-L121 HydrophobicContact CG1-CD2 3.79Å; D115-L121 PolarHBondContact O-N 3.49Å; L116-L121 HydrophobicContact CD1-CB 4.31Å; L116-L121 HydrophobicContact CD1-CD2 4.25Å; L121-L131 HydrophobicContact CD2-CD1 4.34Å; L121-A194 HydrophobicContact CD2-CB 4.04Å; L121-L197 HydrophobicContact CD1-CB 3.99Å; L121-L197 HydrophobicContact CD1-CD1 3.84Å; L121-L197 HydrophobicContact CD2-CD1 3.88Å; L121-L197 HydrophobicContact CG-CD1 3.67Å
122	L	89	Confident	91.9	Very high	61 Å²	61	35.1 Å²	35.1	32%	0.319	19%	0.187	S	C	.	.			trans	-70.6	127	176.4	-57.7	-177.2	0	0	0	110.4	R120 T199 N230	R120-L122 PolarHBondContact O-N 3.32Å; L122-T199 HydrophobicContact CB-CG2 3.96Å; L122-T199 HydrophobicContact CD1-CG2 3.9Å; L122-T199 HydrophobicContact CG-CG2 3.9Å; L122-T199 PolarHBondContact N-OG1 3.31Å; L122-T199 PolarHBondContact O-OG1 3Å; L122-N230 HydrophobicContact CD1-CB 4.33Å
123	C	89.6	Confident	91.9	Very high	30 Å²	30	35.1 Å²	35.1	20%	0.203	19%	0.187	C	C	.	.			trans	-146.5	159.1	179.6	53.8	0	0	0	0	111.5	D127 L197	C123-D127 HydrophobicContact CB-CB 3.98Å; C123-L197 HydrophobicContact CB-CD1 3.74Å; C123-L197 HydrophobicContact CB-CD2 4.02Å
124	K	90.8	Very high	92	Very high	141 Å²	141	35.2 Å²	35.2	61%	0.613	19%	0.187	S	C	*	.			trans	-72.1	157.7	172	-63	-179.6	-177.1	-179.7	0	109.6	S126 D127 A128	K124-S126 PolarHBondContact O-N 3.18Å; K124-S126 VanDerWaalsContact O-N 3.15Å; K124-D127 PolarHBondContact O-N 3.26Å; K124-A128 WeakPolarHBondContact O-CB 3.4Å; K124-A128 PolarHBondContact O-N 3.36Å
125	T	89	Confident	92.1	Very high	68 Å²	68	34.1 Å²	34.1	42%	0.417	18%	0.183	S	C	.	.	H	α-helix	trans	-55.6	-35.8	-178.5	-49	0	0	0	0	113.4	A129 L166	T125-A129 WeakPolarHBondContact O-CB 3.4Å; T125-A129 PolarHBondContact O-N 3.29Å; T125-L166 HydrophobicContact CG2-CD1 4.1Å
126	S	91.8	Very high	92	Very high	74 Å²	74	33.9 Å²	33.9	52%	0.517	18%	0.182	S	C	.	.	H	α-helix	trans	-64.1	-46.2	175.3	53.7	0	0	0	0	112.3	K124 A129 L130	K124-S126 PolarHBondContact O-N 3.18Å; K124-S126 VanDerWaalsContact O-N 3.15Å; S126-A129 PolarHBondContact O-N 2.96Å; S126-L130 PolarHBondContact O-N 3.04Å; S126-L130 VanDerWaalsContact O-N 3.08Å
127	D	94.1	Very high	92.1	Very high	28 Å²	28	33.8 Å²	33.8	15%	0.15	18%	0.181	C	C	.	.	H	α-helix	trans	-69	-38.8	179.4	-64	-28.9	0	0	0	110.9	C123 K124 A129 L130 L131 K193	C123-D127 HydrophobicContact CB-CB 3.98Å; K124-D127 PolarHBondContact O-N 3.26Å; D127-A129 VanDerWaalsContact C-N 3.35Å; D127-A129 PolarHBondContact O-N 3.11Å; D127-L130 PolarHBondContact O-N 3.24Å; D127-L131 WeakPolarHBondContact O-CB 3.44Å; D127-L131 VanDerWaalsContact O-CG 3.25Å; D127-L131 WeakPolarHBondContact O-CG 3.46Å; D127-L131 PolarHBondContact O-N 3.1Å; D127-K193 VanDerWaalsContact CG-CE 3.43Å; D127-K193 WeakPolarHBondContact OD1-CE 3.41Å; D127-K193 IonicContact OD1-NZ 3.51Å; D127-K193 PolarHBondContact OD1-NZ 2.78Å; D127-K193 IonicContact OD2-NZ 3.69Å
128	A	92.5	Very high	92.2	Very high	7 Å²	7	32.5 Å²	32.5	6%	0.058	18%	0.18	C	C	.	.	H	α-helix	trans	-57.4	-48	172.8	0	0	0	0	0	111	K124 L130 L131 A132 F159 L166	K124-A128 WeakPolarHBondContact O-CB 3.4Å; K124-A128 PolarHBondContact O-N 3.36Å; A128-L130 VanDerWaalsContact C-N 3.34Å; A128-L130 PolarHBondContact O-N 2.89Å; A128-L131 PolarHBondContact O-N 3.34Å; A128-A132 WeakPolarHBondContact O-CB 3.36Å; A128-A132 PolarHBondContact O-N 3.12Å; A128-F159 HydrophobicContact CB-CE1 3.82Å; A128-F159 HydrophobicContact CB-CE2 4.42Å; A128-F159 HydrophobicContact CB-CZ 3.62Å; A128-F159 WeakPolarHBondContact O-CZ 3.32Å; A128-L166 HydrophobicContact CB-CD1 4.37Å
129	A	93.6	Very high	92.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.4	-44.6	178.3	0	0	0	0	0	111.9	T125 S126 D127 A132 A133 L166 R169 I170 I173	T125-A129 WeakPolarHBondContact O-CB 3.4Å; T125-A129 PolarHBondContact O-N 3.29Å; S126-A129 PolarHBondContact O-N 2.96Å; D127-A129 VanDerWaalsContact C-N 3.35Å; D127-A129 PolarHBondContact O-N 3.11Å; A129-A132 PolarHBondContact O-N 3.31Å; A129-A133 WeakPolarHBondContact O-CB 3.34Å; A129-A133 PolarHBondContact O-N 3.02Å; A129-L166 HydrophobicContact CB-CD1 3.66Å; A129-R169 HydrophobicContact CB-CB 4.12Å; A129-R169 HydrophobicContact CB-CG 3.64Å; A129-I170 HydrophobicContact CB-CG1 4.17Å; A129-I173 HydrophobicContact CB-CD1 3.88Å
130	L	95.8	Very high	92.4	Very high	33 Å²	33	31.7 Å²	31.7	17%	0.173	17%	0.167	C	C	.	.	H	α-helix	trans	-64.1	-46.5	178.6	-178.7	62.9	0	0	0	112.2	S126 D127 A128 A132 A133 Y134 I173 K193	S126-L130 PolarHBondContact O-N 3.04Å; S126-L130 VanDerWaalsContact O-N 3.08Å; D127-L130 PolarHBondContact O-N 3.24Å; A128-L130 VanDerWaalsContact C-N 3.34Å; A128-L130 PolarHBondContact O-N 2.89Å; L130-A132 PolarHBondContact O-N 3.18Å; L130-A133 PolarHBondContact O-N 2.97Å; L130-Y134 HydrophobicContact CD1-CD2 4.44Å; L130-Y134 HydrophobicContact CD1-CE2 3.8Å; L130-Y134 HydrophobicContact CD2-CE2 4.1Å; L130-Y134 HydrophobicContact CG-CD2 4.18Å; L130-Y134 HydrophobicContact CG-CE2 3.6Å; L130-Y134 WeakPolarHBondContact O-CD2 3.44Å; L130-Y134 PolarHBondContact O-N 3.36Å; L130-I173 HydrophobicContact CD1-CG2 4.03Å; L130-K193 HydrophobicContact CD2-CD 4.38Å; L130-K193 HydrophobicContact CD2-CG 4.35Å
131	L	96	Very high	92.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.9	-43.3	178	-73.6	173.1	0	0	0	111.8	L116 L121 D127 A128 A133 Y134 I135 F190 K193 A194 L197	L116-L131 HydrophobicContact CD1-CD1 4.22Å; L116-L131 HydrophobicContact CD2-CB 3.99Å; L121-L131 HydrophobicContact CD2-CD1 4.34Å; D127-L131 WeakPolarHBondContact O-CB 3.44Å; D127-L131 VanDerWaalsContact O-CG 3.25Å; D127-L131 WeakPolarHBondContact O-CG 3.46Å; D127-L131 PolarHBondContact O-N 3.1Å; A128-L131 PolarHBondContact O-N 3.34Å; L131-A133 VanDerWaalsContact C-N 3.34Å; L131-Y134 PolarHBondContact O-N 2.95Å; L131-I135 WeakPolarHBondContact O-CG1 3.32Å; L131-I135 PolarHBondContact O-N 3.02Å; L131-I135 VanDerWaalsContact O-N 3.11Å; L131-F190 HydrophobicContact CB-CD2 4.02Å; L131-F190 HydrophobicContact CB-CE2 3.79Å; L131-F190 HydrophobicContact CD2-CD2 3.51Å; L131-F190 HydrophobicContact CD2-CE2 3.67Å; L131-F190 HydrophobicContact CD2-CG 4.05Å; L131-F190 HydrophobicContact CD2-CZ 4.32Å; L131-F190 HydrophobicContact CG-CD2 4.36Å; L131-F190 HydrophobicContact CG-CE2 4.24Å; L131-F190 WeakPolarHBondContact O-CD2 3.46Å; L131-K193 HydrophobicContact CD2-CB 3.91Å; L131-K193 HydrophobicContact CD2-CG 3.82Å; L131-K193 HydrophobicContact CG-CG 4.24Å; L131-A194 HydrophobicContact CD2-CB 4.4Å; L131-L197 HydrophobicContact CD1-CD1 3.87Å
132	A	94.3	Very high	92.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-67	-35.4	175.7	0	0	0	0	0	112.4	A128 A129 L130 I135 L136 F158 F159 I170	A128-A132 WeakPolarHBondContact O-CB 3.36Å; A128-A132 PolarHBondContact O-N 3.12Å; A129-A132 PolarHBondContact O-N 3.31Å; L130-A132 PolarHBondContact O-N 3.18Å; A132-I135 PolarHBondContact O-N 3.36Å; A132-L136 WeakPolarHBondContact O-CB 3.35Å; A132-L136 PolarHBondContact O-N 3.17Å; A132-F158 HydrophobicContact CB-CB 3.96Å; A132-F158 HydrophobicContact CB-CD1 4.11Å; A132-F158 HydrophobicContact CB-CD2 3.89Å; A132-F158 HydrophobicContact CB-CE2 4.38Å; A132-F158 HydrophobicContact CB-CG 3.71Å; A132-F159 HydrophobicContact CB-CE2 3.73Å; A132-F159 HydrophobicContact CB-CZ 3.97Å; A132-I170 HydrophobicContact CB-CD1 3.54Å; A132-I170 HydrophobicContact CB-CG1 3.83Å; A132-I170 HydrophobicContact CB-CG2 4.33Å
133	A	95	Very high	92.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.8	-39.7	174.2	0	0	0	0	0	112	A129 L130 L131 L136 Q137 I170 I173 L178	A129-A133 WeakPolarHBondContact O-CB 3.34Å; A129-A133 PolarHBondContact O-N 3.02Å; L130-A133 PolarHBondContact O-N 2.97Å; L131-A133 VanDerWaalsContact C-N 3.34Å; A133-L136 WeakPolarHBondContact O-CB 3.37Å; A133-L136 PolarHBondContact O-N 2.85Å; A133-Q137 WeakPolarHBondContact O-CB 3.47Å; A133-Q137 PolarHBondContact O-N 3.43Å; A133-I170 HydrophobicContact CB-CG2 4.33Å; A133-I173 HydrophobicContact CB-CB 3.89Å; A133-I173 HydrophobicContact CB-CG2 3.57Å; A133-L178 HydrophobicContact CB-CD1 3.65Å; A133-L178 VanDerWaalsContact O-CD1 3.26Å; A133-L178 WeakPolarHBondContact O-CD1 3.37Å
134	Y	96.4	Very high	92.4	Very high	33 Å²	33	34.7 Å²	34.7	13%	0.129	19%	0.187	C	C	.	.	H	α-helix	trans	-63	-40.7	172.6	-70.9	-49.8	0	0	0	112.8	L130 L131 L136 A138 L178 N189 F190	L130-Y134 HydrophobicContact CD1-CD2 4.44Å; L130-Y134 HydrophobicContact CD1-CE2 3.8Å; L130-Y134 HydrophobicContact CD2-CE2 4.1Å; L130-Y134 HydrophobicContact CG-CD2 4.18Å; L130-Y134 HydrophobicContact CG-CE2 3.6Å; L130-Y134 WeakPolarHBondContact O-CD2 3.44Å; L130-Y134 PolarHBondContact O-N 3.36Å; L131-Y134 PolarHBondContact O-N 2.95Å; Y134-L136 VanDerWaalsContact C-N 3.32Å; Y134-A138 WeakPolarHBondContact O-CB 3.34Å; Y134-A138 PolarHBondContact O-N 3.39Å; Y134-L178 HydrophobicContact CD1-CD1 4.09Å; Y134-L178 HydrophobicContact CD1-CD2 3.82Å; Y134-L178 HydrophobicContact CE1-CD2 3.49Å; Y134-L178 VanDerWaalsContact CE1-CD2 3.49Å; Y134-N189 HydrophobicContact CD1-CB 4.04Å; Y134-N189 HydrophobicContact CE1-CB 3.57Å; Y134-N189 HydrophobicContact CE2-CB 4.07Å; Y134-F190 HydrophobicContact CD2-CB 4.17Å; Y134-F190 HydrophobicContact CG-CB 4.28Å
135	I	94	Very high	92.1	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.015	19%	0.188	C	C	.	.	H	α-helix	trans	-61.4	-45.2	174.6	-66	162.7	0	0	0	110	F109 K113 L116 L131 A132 A138 E139 F158 F190	F109-I135 HydrophobicContact CE2-CG1 4.11Å; F109-I135 HydrophobicContact CZ-CG1 4.13Å; K113-I135 HydrophobicContact CB-CD1 4.5Å; K113-I135 HydrophobicContact CD-CD1 4.14Å; K113-I135 HydrophobicContact CD-CG1 4.13Å; K113-I135 HydrophobicContact CD-CG2 3.71Å; K113-I135 HydrophobicContact CG-CD1 3.85Å; K113-I135 HydrophobicContact CG-CG1 4.3Å; L116-I135 HydrophobicContact CD2-CD1 3.88Å; L131-I135 WeakPolarHBondContact O-CG1 3.32Å; L131-I135 PolarHBondContact O-N 3.02Å; L131-I135 VanDerWaalsContact O-N 3.11Å; A132-I135 PolarHBondContact O-N 3.36Å; I135-A138 PolarHBondContact O-N 3.09Å; I135-E139 HydrophobicContact CG2-CG 4.41Å; I135-E139 WeakPolarHBondContact O-CG 3.33Å; I135-E139 PolarHBondContact O-N 2.91Å; I135-F158 HydrophobicContact CB-CD1 4.25Å; I135-F158 HydrophobicContact CB-CE1 4.07Å; I135-F158 HydrophobicContact CD1-CD1 4.34Å; I135-F158 HydrophobicContact CG2-CD1 4.01Å; I135-F158 HydrophobicContact CG2-CE1 3.75Å; I135-F190 HydrophobicContact CD1-CD2 4.27Å; I135-F190 HydrophobicContact CD1-CE2 3.58Å; I135-F190 HydrophobicContact CD1-CZ 4.23Å; I135-F190 HydrophobicContact CG1-CD2 3.91Å; I135-F190 HydrophobicContact CG1-CE2 3.71Å; I135-F190 HydrophobicContact CG1-CZ 4.49Å
136	L	92.4	Very high	91.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.6	-51.7	179.9	-171.8	56.7	0	0	0	110.9	A132 A133 Y134 A138 E139 I140 Y152 F156 F158 I170 H174	A132-L136 WeakPolarHBondContact O-CB 3.35Å; A132-L136 PolarHBondContact O-N 3.17Å; A133-L136 WeakPolarHBondContact O-CB 3.37Å; A133-L136 PolarHBondContact O-N 2.85Å; Y134-L136 VanDerWaalsContact C-N 3.32Å; L136-A138 VanDerWaalsContact C-N 3.27Å; L136-A138 PolarHBondContact O-N 2.94Å; L136-E139 PolarHBondContact O-N 3.21Å; L136-I140 HydrophobicContact CD1-CD1 3.38Å; L136-I140 HydrophobicContact CD1-CG1 3.91Å; L136-I140 HydrophobicContact CG-CD1 3.81Å; L136-I140 HydrophobicContact CG-CG1 4.19Å; L136-I140 WeakPolarHBondContact O-CG1 3.46Å; L136-I140 PolarHBondContact O-N 2.98Å; L136-Y152 HydrophobicContact CD1-CE2 4.4Å; L136-Y152 HydrophobicContact CD2-CE2 3.7Å; L136-Y152 HydrophobicContact CG-CE2 4.33Å; L136-F156 HydrophobicContact CD1-CD1 4.47Å; L136-F156 HydrophobicContact CD1-CD2 3.72Å; L136-F156 HydrophobicContact CD1-CE1 4.42Å; L136-F156 HydrophobicContact CD1-CE2 3.65Å; L136-F156 HydrophobicContact CD1-CG 4.16Å; L136-F156 HydrophobicContact CD1-CZ 4.04Å; L136-F158 HydrophobicContact CB-CZ 4.05Å; L136-F158 HydrophobicContact CD1-CZ 4.13Å; L136-F158 HydrophobicContact CG-CZ 4.49Å; L136-I170 HydrophobicContact CD2-CG2 3.89Å; L136-H174 HydrophobicContact CD2-CB 4.16Å
137	Q	93.9	Very high	91.5	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-55.6	-41.1	176.2	-177.5	69.2	22.6	0	0	111.9	A133 E139 G141 D142 H174 L178 Q181 S186	A133-Q137 WeakPolarHBondContact O-CB 3.47Å; A133-Q137 PolarHBondContact O-N 3.43Å; Q137-E139 VanDerWaalsContact C-N 3.35Å; Q137-E139 PolarHBondContact O-N 3.11Å; Q137-G141 VanDerWaalsContact O-CA 3.22Å; Q137-G141 WeakPolarHBondContact O-CA 3.44Å; Q137-G141 PolarHBondContact O-N 3.22Å; Q137-D142 PolarHBondContact NE2-OD1 3.43Å; Q137-H174 PolarHBondContact OE1-CD2 2.94Å; Q137-H174 PolarHBondContact OE1-NE2 3.45Å; Q137-H174 VanDerWaalsContact OE1-NE2 3.11Å; Q137-L178 HydrophobicContact CB-CB 4.3Å; Q137-L178 HydrophobicContact CB-CD1 3.94Å; Q137-L178 HydrophobicContact CG-CB 4.09Å; Q137-L178 PolarHBondContact NE2-O 3.25Å; Q137-Q181 HydrophobicContact CG-CB 4.2Å; Q137-Q181 PolarHBondContact NE2-O 2.99Å; Q137-S186 WeakPolarHBondContact CG-OG 3.31Å
138	A	92.1	Very high	91.2	Very high	17 Å²	17	36 Å²	36	14%	0.14	21%	0.207	C	C	.	.	H	α-helix	trans	-68.9	-29.9	177.9	0	0	0	0	0	113.6	Y134 I135 L136 P183 E187	Y134-A138 WeakPolarHBondContact O-CB 3.34Å; Y134-A138 PolarHBondContact O-N 3.39Å; I135-A138 PolarHBondContact O-N 3.09Å; L136-A138 VanDerWaalsContact C-N 3.27Å; L136-A138 PolarHBondContact O-N 2.94Å; A138-P183 HydrophobicContact CB-CB 4.39Å; A138-E187 HydrophobicContact CB-CG 4.07Å
139	E	89.4	Confident	90.8	Very high	59 Å²	59	39.2 Å²	39.2	28%	0.276	23%	0.227	S	C	.	.	H	α-helix	trans	-88.7	-37.5	-177.8	-73.2	-174.5	-174.5	0	0	113.7	K113 I135 L136 Q137 F156	K113-E139 IonicContact NZ-OE1 2.69Å; K113-E139 PolarHBondContact NZ-OE1 3.37Å; I135-E139 HydrophobicContact CG2-CG 4.41Å; I135-E139 WeakPolarHBondContact O-CG 3.33Å; I135-E139 PolarHBondContact O-N 2.91Å; L136-E139 PolarHBondContact O-N 3.21Å; Q137-E139 VanDerWaalsContact C-N 3.35Å; Q137-E139 PolarHBondContact O-N 3.11Å; E139-F156 WeakPolarHBondContact OE2-CD1 3.32Å; E139-F156 WeakPolarHBondContact OE2-CE1 3.39Å
140	I	88.8	Confident	90.1	Very high	56 Å²	56	48.5 Å²	48.5	29%	0.287	27%	0.27	S	S	.	.	H	α-helix	trans	-116.8	-6.8	-174.8	69.6	178.3	0	0	0	114.9	L136 Y152 F156	L136-I140 HydrophobicContact CD1-CD1 3.38Å; L136-I140 HydrophobicContact CD1-CG1 3.91Å; L136-I140 HydrophobicContact CG-CD1 3.81Å; L136-I140 HydrophobicContact CG-CG1 4.19Å; L136-I140 WeakPolarHBondContact O-CG1 3.46Å; L136-I140 PolarHBondContact O-N 2.98Å; I140-Y152 HydrophobicContact CD1-CD2 4.01Å; I140-Y152 HydrophobicContact CD1-CE2 3.87Å; I140-F156 HydrophobicContact CG2-CE1 4.09Å; I140-F156 HydrophobicContact CG2-CE2 4.35Å; I140-F156 HydrophobicContact CG2-CZ 3.49Å; I140-F156 VanDerWaalsContact CG2-CZ 3.49Å
141	G	90.1	Very high	89.4	Confident	22 Å²	22	48.7 Å²	48.7	23%	0.227	28%	0.28	C	S	.	.			trans	69.3	-161.9	-174.3	0	0	0	0	0	112.8	Q137 H174	Q137-G141 VanDerWaalsContact O-CA 3.22Å; Q137-G141 WeakPolarHBondContact O-CA 3.44Å; Q137-G141 PolarHBondContact O-N 3.22Å; G141-H174 PolarHBondContact O-NE2 2.91Å
142	D	91.3	Very high	88.8	Confident	74 Å²	74	49.3 Å²	49.3	40%	0.396	28%	0.282	S	S	.	.	S	Bend	trans	-57.2	147	-173.9	-71.9	-22.5	0	0	0	114.1	Q137 D144 H148 G180	Q137-D142 PolarHBondContact NE2-OD1 3.43Å; D142-D144 PolarHBondContact O-N 3.48Å; D142-D144 VanDerWaalsContact O-N 3.13Å; D142-H148 PolarHBondContact O-CE1 2.77Å; D142-G180 PolarHBondContact OD1-N 2.96Å; D142-G180 PolarHBondContact OD2-N 3.38Å
143	Y	90	Very high	88.3	Confident	55 Å²	55	49.4 Å²	49.4	22%	0.216	28%	0.283	C	S	.	.			trans	-61.2	116.1	174.6	176.2	-93.4	0	0	0	112.4	P145 H148 Y152 K175	Y143-P145 HydrophobicContact CD1-CG 4.49Å; Y143-P145 HydrophobicContact CE1-CB 4.34Å; Y143-P145 HydrophobicContact CE1-CG 3.82Å; Y143-H148 WeakPolarHBondContact CA-ND1 3.38Å; Y143-H148 HydrophobicContact CD2-CB 3.78Å; Y143-H148 AromaticContact CD2-ND1 3.78Å; Y143-H148 HydrophobicContact CE2-CB 3.58Å; Y143-Y152 HydrophobicContact CD2-CE1 4.12Å; Y143-Y152 AromaticContact CD2-CZ 3.9Å; Y143-Y152 AromaticContact CE2-CE1 3.85Å; Y143-Y152 HydrophobicContact CE2-CE1 3.85Å; Y143-K175 HydrophobicContact CD1-CB 4.25Å; Y143-K175 HydrophobicContact CD1-CD 4.13Å; Y143-K175 HydrophobicContact CD1-CG 3.74Å; Y143-K175 HydrophobicContact CD2-CB 4.38Å; Y143-K175 HydrophobicContact CE1-CD 3.81Å; Y143-K175 HydrophobicContact CE1-CG 3.96Å; Y143-K175 HydrophobicContact CG-CB 4.09Å; Y143-K175 HydrophobicContact CG-CG 4.1Å
144	D	88.4	Confident	87.6	Confident	57 Å²	57	52 Å²	52	31%	0.305	30%	0.301	S	S	.	.			trans	-110.8	116.8	171.3	-179.7	-19	0	0	0	110.7	D142 G146 K147 H148	D142-D144 PolarHBondContact O-N 3.48Å; D142-D144 VanDerWaalsContact O-N 3.13Å; D144-G146 PolarHBondContact O-N 3.36Å; D144-G146 VanDerWaalsContact O-N 3.13Å; D144-G146 WeakPolarHBondContact OD1-CA 3.4Å; D144-G146 PolarHBondContact OD1-N 3.41Å; D144-K147 HydrophobicContact CB-CB 4.14Å; D144-K147 HydrophobicContact CB-CD 4.2Å; D144-K147 HydrophobicContact CB-CG 4.29Å; D144-K147 PolarHBondContact O-N 3.08Å; D144-K147 VanDerWaalsContact O-N 3.08Å; D144-K147 WeakPolarHBondContact OD2-CD 3.16Å; D144-K147 VanDerWaalsContact OD2-CE 3.3Å; D144-K147 WeakPolarHBondContact OD2-CE 3.4Å; D144-K147 IonicContact OD2-NZ 3.62Å; D144-H148 PolarHBondContact N-CE1 3.22Å; D144-H148 PolarHBondContact N-ND1 3.45Å; D144-H148 VanDerWaalsContact O-CB 3.31Å; D144-H148 WeakPolarHBondContact O-CB 3.26Å; D144-H148 PolarHBondContact O-N 2.94Å; D144-H148 PolarHBondContact O-ND1 3.14Å
145	P	86.2	Confident	86.9	Confident	98 Å²	98	57.5 Å²	57.5	64%	0.636	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-28.2	177.6	-21.8	29	0	0	0	115	Y143	Y143-P145 HydrophobicContact CD1-CG 4.49Å; Y143-P145 HydrophobicContact CE1-CB 4.34Å; Y143-P145 HydrophobicContact CE1-CG 3.82Å
146	G	84.3	Confident	86.3	Confident	71 Å²	71	58.7 Å²	58.7	73%	0.732	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-26.8	179.1	0	0	0	0	0	113.5	D144	D144-G146 PolarHBondContact O-N 3.36Å; D144-G146 VanDerWaalsContact O-N 3.13Å; D144-G146 WeakPolarHBondContact OD1-CA 3.4Å; D144-G146 PolarHBondContact OD1-N 3.41Å
147	K	84	Confident	85.7	Confident	152 Å²	152	64 Å²	64	66%	0.661	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-23	-179.7	-62.4	175.4	-172.7	162.8	0	113.1	D144 P149	D144-K147 HydrophobicContact CB-CB 4.14Å; D144-K147 HydrophobicContact CB-CD 4.2Å; D144-K147 HydrophobicContact CB-CG 4.29Å; D144-K147 PolarHBondContact O-N 3.08Å; D144-K147 VanDerWaalsContact O-N 3.08Å; D144-K147 WeakPolarHBondContact OD2-CD 3.16Å; D144-K147 VanDerWaalsContact OD2-CE 3.3Å; D144-K147 WeakPolarHBondContact OD2-CE 3.4Å; D144-K147 IonicContact OD2-NZ 3.62Å; K147-P149 VanDerWaalsContact C-CD 3.5Å; K147-P149 WeakPolarHBondContact O-CD 3.45Å
148	H	86.6	Confident	85	Confident	19 Å²	19	64.5 Å²	64.5	9%	0.088	36%	0.358	C	S	.	.			trans	-116.4	78.5	-172.1	-54.9	145.3	0	0	0	111.3	D142 Y143 D144 Y152	D142-H148 PolarHBondContact O-CE1 2.77Å; Y143-H148 WeakPolarHBondContact CA-ND1 3.38Å; Y143-H148 HydrophobicContact CD2-CB 3.78Å; Y143-H148 AromaticContact CD2-ND1 3.78Å; Y143-H148 HydrophobicContact CE2-CB 3.58Å; D144-H148 PolarHBondContact N-CE1 3.22Å; D144-H148 PolarHBondContact N-ND1 3.45Å; D144-H148 VanDerWaalsContact O-CB 3.31Å; D144-H148 WeakPolarHBondContact O-CB 3.26Å; D144-H148 PolarHBondContact O-N 2.94Å; D144-H148 PolarHBondContact O-ND1 3.14Å; H148-Y152 HydrophobicContact CB-CD1 3.86Å; H148-Y152 HydrophobicContact CB-CD2 3.97Å; H148-Y152 HydrophobicContact CB-CE1 4.09Å; H148-Y152 HydrophobicContact CB-CE2 4.17Å; H148-Y152 HydrophobicContact CB-CG 3.8Å
149	P	83.6	Confident	84.5	Confident	73 Å²	73	64.7 Å²	64.7	47%	0.474	36%	0.356	S	S	.	.			trans	-67.6	165.7	174.9	31.3	-36.9	0	0	0	111.2	K147 G151 Y152	K147-P149 VanDerWaalsContact C-CD 3.5Å; K147-P149 WeakPolarHBondContact O-CD 3.45Å; P149-G151 PolarHBondContact O-N 3.48Å; P149-Y152 VanDerWaalsContact O-CB 3.3Å; P149-Y152 WeakPolarHBondContact O-CB 3.41Å; P149-Y152 WeakPolarHBondContact O-CD1 3.4Å; P149-Y152 PolarHBondContact O-N 3.41Å
150	E	80.3	Confident	83.8	Confident	196 Å²	196	66.1 Å²	66.1	92%	0.916	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	134.7	176.6	-164.2	171.9	-169.2	0	0	111.8
151	G	80.3	Confident	83	Confident	37 Å²	37	69 Å²	69	38%	0.381	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	12.3	-174.7	0	0	0	0	0	115.5	P149 S153 S154	P149-G151 PolarHBondContact O-N 3.48Å; G151-S153 PolarHBondContact O-N 3.12Å; G151-S154 WeakPolarHBondContact O-CB 3.24Å; G151-S154 PolarHBondContact O-N 3.1Å; G151-S154 VanDerWaalsContact O-N 3.14Å; G151-S154 PolarHBondContact O-OG 3.41Å
152	Y	84.3	Confident	82	Confident	12 Å²	12	71 Å²	71	5%	0.047	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-57.6	-33.8	175.5	71.6	-78.9	0	0	0	113.2	L136 I140 Y143 H148 P149 S154 K155 A171 H174	L136-Y152 HydrophobicContact CD1-CE2 4.4Å; L136-Y152 HydrophobicContact CD2-CE2 3.7Å; L136-Y152 HydrophobicContact CG-CE2 4.33Å; I140-Y152 HydrophobicContact CD1-CD2 4.01Å; I140-Y152 HydrophobicContact CD1-CE2 3.87Å; Y143-Y152 HydrophobicContact CD2-CE1 4.12Å; Y143-Y152 AromaticContact CD2-CZ 3.9Å; Y143-Y152 AromaticContact CE2-CE1 3.85Å; Y143-Y152 HydrophobicContact CE2-CE1 3.85Å; H148-Y152 HydrophobicContact CB-CD1 3.86Å; H148-Y152 HydrophobicContact CB-CD2 3.97Å; H148-Y152 HydrophobicContact CB-CE1 4.09Å; H148-Y152 HydrophobicContact CB-CE2 4.17Å; H148-Y152 HydrophobicContact CB-CG 3.8Å; P149-Y152 VanDerWaalsContact O-CB 3.3Å; P149-Y152 WeakPolarHBondContact O-CB 3.41Å; P149-Y152 WeakPolarHBondContact O-CD1 3.4Å; P149-Y152 PolarHBondContact O-N 3.41Å; Y152-S154 VanDerWaalsContact C-N 3.26Å; Y152-S154 PolarHBondContact O-N 2.87Å; Y152-K155 WeakPolarHBondContact O-CB 3.44Å; Y152-K155 PolarHBondContact O-N 3.12Å; Y152-A171 HydrophobicContact CE1-CB 3.85Å; Y152-H174 AromaticContact CE2-ND1 3.62Å; Y152-H174 AromaticContact CZ-ND1 3.62Å; Y152-H174 PolarHBondContact OH-ND1 3.34Å
153	S	82.6	Confident	81.7	Confident	3 Å²	3	70.2 Å²	70.2	2%	0.021	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-64.1	-28.5	178.5	53.6	0	0	0	0	112.8	G151 K155 F156 E167	G151-S153 PolarHBondContact O-N 3.12Å; S153-K155 PolarHBondContact O-N 2.67Å; S153-F156 PolarHBondContact O-N 2.96Å; S153-F156 VanDerWaalsContact O-N 3.11Å; S153-E167 PolarHBondContact OG-O 2.91Å
154	S	81.8	Confident	81.4	Confident	54 Å²	54	73.4 Å²	73.4	38%	0.378	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-66.9	-16.1	179.3	-38	0	0	0	0	113.4	G151 Y152 F156 E167	G151-S154 WeakPolarHBondContact O-CB 3.24Å; G151-S154 PolarHBondContact O-N 3.1Å; G151-S154 VanDerWaalsContact O-N 3.14Å; G151-S154 PolarHBondContact O-OG 3.41Å; Y152-S154 VanDerWaalsContact C-N 3.26Å; Y152-S154 PolarHBondContact O-N 2.87Å; S154-F156 PolarHBondContact O-N 3.41Å; S154-E167 WeakPolarHBondContact CB-OE2 3.42Å; S154-E167 VanDerWaalsContact OG-CD 3.32Å; S154-E167 PolarHBondContact OG-OE2 2.89Å
155	K	81.3	Confident	81.4	Confident	148 Å²	148	78.3 Å²	78.3	64%	0.643	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-71.5	-19.8	174.5	-64.1	179.5	-177.3	173.7	0	112.7	Y152 S153	Y152-K155 WeakPolarHBondContact O-CB 3.44Å; Y152-K155 PolarHBondContact O-N 3.12Å; S153-K155 PolarHBondContact O-N 2.67Å
156	F	80	Confident	81.5	Confident	29 Å²	29	74.3 Å²	74.3	13%	0.127	39%	0.393	C	S	.	.	S	Bend	trans	-101.4	122.8	-176.9	-63.9	-92.6	0	0	0	109.5	L136 E139 I140 S153 S154 F158 H162	L136-F156 HydrophobicContact CD1-CD1 4.47Å; L136-F156 HydrophobicContact CD1-CD2 3.72Å; L136-F156 HydrophobicContact CD1-CE1 4.42Å; L136-F156 HydrophobicContact CD1-CE2 3.65Å; L136-F156 HydrophobicContact CD1-CG 4.16Å; L136-F156 HydrophobicContact CD1-CZ 4.04Å; E139-F156 WeakPolarHBondContact OE2-CD1 3.32Å; E139-F156 WeakPolarHBondContact OE2-CE1 3.39Å; I140-F156 HydrophobicContact CG2-CE1 4.09Å; I140-F156 HydrophobicContact CG2-CE2 4.35Å; I140-F156 HydrophobicContact CG2-CZ 3.49Å; I140-F156 VanDerWaalsContact CG2-CZ 3.49Å; S153-F156 PolarHBondContact O-N 2.96Å; S153-F156 VanDerWaalsContact O-N 3.11Å; S154-F156 PolarHBondContact O-N 3.41Å; F156-F158 HydrophobicContact CB-CD1 4.35Å; F156-F158 HydrophobicContact CB-CD2 4.18Å; F156-F158 HydrophobicContact CB-CE1 3.67Å; F156-F158 HydrophobicContact CB-CE2 3.49Å; F156-F158 VanDerWaalsContact CB-CE2 3.49Å; F156-F158 HydrophobicContact CB-CZ 3.21Å; F156-F158 HydrophobicContact CD1-CZ 4.49Å; F156-F158 HydrophobicContact CD2-CZ 4.43Å; F156-F158 HydrophobicContact CG-CE1 4.34Å; F156-F158 HydrophobicContact CG-CE2 4.44Å; F156-F158 AromaticContact CG-CZ 3.84Å; F156-F158 HydrophobicContact CG-CZ 3.84Å; F156-F158 PolarHBondContact O-N 3.29Å; F156-H162 PolarHBondContact O-CE1 3.22Å
157	Q	79.8	Confident	81.7	Confident	112 Å²	112	72.6 Å²	72.6	52%	0.523	37%	0.366	S	S	.	.			trans	-88.5	89.9	176.2	-66.2	-168.4	-1.7	0	0	111	Y117	Y117-Q157 WeakPolarHBondContact CD2-O 3.32Å; Y117-Q157 HydrophobicContact CE2-CB 3.94Å
158	F	80.9	Confident	82	Confident	11 Å²	11	71.9 Å²	71.9	5%	0.048	36%	0.359	C	S	.	.			trans	-80.7	-33.7	177.1	-53.7	-66.7	0	0	0	114.3	Y117 A132 I135 L136 F156 H162 I170	Y117-F158 VanDerWaalsContact CA-O 3.3Å; Y117-F158 WeakPolarHBondContact CA-O 3Å; A132-F158 HydrophobicContact CB-CB 3.96Å; A132-F158 HydrophobicContact CB-CD1 4.11Å; A132-F158 HydrophobicContact CB-CD2 3.89Å; A132-F158 HydrophobicContact CB-CE2 4.38Å; A132-F158 HydrophobicContact CB-CG 3.71Å; I135-F158 HydrophobicContact CB-CD1 4.25Å; I135-F158 HydrophobicContact CB-CE1 4.07Å; I135-F158 HydrophobicContact CD1-CD1 4.34Å; I135-F158 HydrophobicContact CG2-CD1 4.01Å; I135-F158 HydrophobicContact CG2-CE1 3.75Å; L136-F158 HydrophobicContact CB-CZ 4.05Å; L136-F158 HydrophobicContact CD1-CZ 4.13Å; L136-F158 HydrophobicContact CG-CZ 4.49Å; F156-F158 HydrophobicContact CB-CD1 4.35Å; F156-F158 HydrophobicContact CB-CD2 4.18Å; F156-F158 HydrophobicContact CB-CE1 3.67Å; F156-F158 HydrophobicContact CB-CE2 3.49Å; F156-F158 VanDerWaalsContact CB-CE2 3.49Å; F156-F158 HydrophobicContact CB-CZ 3.21Å; F156-F158 HydrophobicContact CD1-CZ 4.49Å; F156-F158 HydrophobicContact CD2-CZ 4.43Å; F156-F158 HydrophobicContact CG-CE1 4.34Å; F156-F158 HydrophobicContact CG-CE2 4.44Å; F156-F158 AromaticContact CG-CZ 3.84Å; F156-F158 HydrophobicContact CG-CZ 3.84Å; F156-F158 PolarHBondContact O-N 3.29Å; F158-H162 PolarHBondContact N-CE1 3.36Å; F158-H162 VanDerWaalsContact N-CE1 3.26Å; F158-H162 PolarHBondContact N-NE2 3.22Å; F158-I170 HydrophobicContact CD2-CD1 4.13Å; F158-I170 HydrophobicContact CE2-CD1 4.44Å; F158-I170 HydrophobicContact CE2-CG2 4.41Å
159	F	80.8	Confident	82.3	Confident	21 Å²	21	75.9 Å²	75.9	9%	0.092	37%	0.373	C	S	.	.	S	Bend	trans	-127.9	162.4	-174.9	-56.5	-78.2	0	0	0	112.3	L116 A128 A132 K161 H162 L166 I170	L116-F159 HydrophobicContact CD1-CD1 4.27Å; L116-F159 HydrophobicContact CD1-CE1 3.55Å; L116-F159 HydrophobicContact CD1-CZ 4.42Å; L116-F159 HydrophobicContact CD2-CE1 3.92Å; L116-F159 HydrophobicContact CD2-CZ 4.11Å; L116-F159 HydrophobicContact CG-CD1 4.17Å; L116-F159 HydrophobicContact CG-CE1 3.61Å; L116-F159 HydrophobicContact CG-CZ 4.31Å; A128-F159 HydrophobicContact CB-CE1 3.82Å; A128-F159 HydrophobicContact CB-CE2 4.42Å; A128-F159 HydrophobicContact CB-CZ 3.62Å; A128-F159 WeakPolarHBondContact O-CZ 3.32Å; A132-F159 HydrophobicContact CB-CE2 3.73Å; A132-F159 HydrophobicContact CB-CZ 3.97Å; F159-K161 VanDerWaalsContact C-N 3.27Å; F159-K161 WeakPolarHBondContact CB-O 3.45Å; F159-K161 PolarHBondContact O-N 3.44Å; F159-H162 PolarHBondContact N-NE2 2.94Å; F159-H162 PolarHBondContact O-CD2 3.42Å; F159-H162 PolarHBondContact O-NE2 3.32Å; F159-L166 HydrophobicContact CD2-CD2 3.74Å; F159-L166 HydrophobicContact CE2-CD2 3.77Å; F159-I170 HydrophobicContact CE2-CD1 4.35Å
160	P	74.1	Confident	82.7	Confident	88 Å²	88	72.4 Å²	72.4	57%	0.571	35%	0.351	S	S	*	.	S	Bend	trans	-64	-31.4	171.7	-17.5	27.8	0	0	0	113.4	Y117	Y117-P160 WeakPolarHBondContact O-CD 3.36Å; Y117-P160 WeakPolarHBondContact O-CG 3.34Å
161	K	72.1	Confident	83.3	Confident	117 Å²	117	64.1 Å²	64.1	51%	0.509	32%	0.316	S	S	.	.	S	Bend	trans	-129.1	126.1	178.7	-68.3	-177.2	-179.2	174.6	0	109	F159	F159-K161 VanDerWaalsContact C-N 3.27Å; F159-K161 WeakPolarHBondContact CB-O 3.45Å; F159-K161 PolarHBondContact O-N 3.44Å
162	H	70.3	Confident	83.9	Confident	63 Å²	63	66.9 Å²	66.9	29%	0.292	32%	0.319	S	S	.	.			trans	-107.5	141.3	179	-73.9	-130.9	0	0	0	109.1	F156 F158 F159 E167	F156-H162 PolarHBondContact O-CE1 3.22Å; F158-H162 PolarHBondContact N-CE1 3.36Å; F158-H162 VanDerWaalsContact N-CE1 3.26Å; F158-H162 PolarHBondContact N-NE2 3.22Å; F159-H162 PolarHBondContact N-NE2 2.94Å; F159-H162 PolarHBondContact O-CD2 3.42Å; F159-H162 PolarHBondContact O-NE2 3.32Å; H162-E167 WeakPolarHBondContact CB-OE1 3.47Å; H162-E167 IonicContact ND1-OE1 3.35Å
163	S	83.6	Confident	84.5	Confident	58 Å²	58	66.6 Å²	66.6	41%	0.406	32%	0.318	S	S	.	.			trans	-122.9	141.8	170.2	70.2	0	0	0	0	108	K165 L166 E167	S163-K165 PolarHBondContact O-N 2.96Å; S163-L166 WeakPolarHBondContact O-CA 3.3Å; S163-L166 WeakPolarHBondContact O-CB 3.17Å; S163-L166 PolarHBondContact O-N 3.47Å; S163-L166 WeakPolarHBondContact OG-CB 3.45Å; S163-L166 PolarHBondContact OG-N 2.93Å; S163-E167 PolarHBondContact O-N 3.43Å
164	E	84.9	Confident	85	Confident	122 Å²	122	66.4 Å²	66.4	57%	0.57	32%	0.317	S	S	*	.	H	α-helix	trans	-57.5	-34.4	-179.7	-161.5	-154.5	121.3	0	0	112	L166 E167 R168	E164-L166 VanDerWaalsContact C-N 3.34Å; E164-L166 PolarHBondContact O-N 3.49Å; E164-E167 PolarHBondContact O-N 3.1Å; E164-R168 WeakPolarHBondContact O-CB 3.48Å; E164-R168 WeakPolarHBondContact O-CG 3.48Å; E164-R168 PolarHBondContact O-N 3.17Å; E164-R168 IonicContact OE1-CZ 3.14Å; E164-R168 VanDerWaalsContact OE1-CZ 3.28Å; E164-R168 IonicContact OE1-NE 3.77Å; E164-R168 PolarHBondContact OE1-NE 2.94Å; E164-R168 IonicContact OE1-NH2 2.77Å; E164-R168 PolarHBondContact OE1-NH2 3.19Å
165	K	87.8	Confident	85.5	Confident	160 Å²	160	68.9 Å²	68.9	70%	0.696	32%	0.321	S	S	*	.	H	α-helix	trans	-61.4	-41.2	174.3	-174.9	178.6	179.9	178.8	0	112.1	S163 R169	S163-K165 PolarHBondContact O-N 2.96Å; K165-R169 PolarHBondContact O-N 3.17Å; K165-R169 VanDerWaalsContact O-N 3.16Å
166	L	88.2	Confident	86.1	Confident	14 Å²	14	66 Å²	66	7%	0.073	32%	0.316	C	S	.	.	H	α-helix	trans	-69	-43.8	177.3	179	60.3	0	0	0	110.6	T125 A128 A129 F159 S163 E164 R168 R169 I170	T125-L166 HydrophobicContact CG2-CD1 4.1Å; A128-L166 HydrophobicContact CB-CD1 4.37Å; A129-L166 HydrophobicContact CB-CD1 3.66Å; F159-L166 HydrophobicContact CD2-CD2 3.74Å; F159-L166 HydrophobicContact CE2-CD2 3.77Å; S163-L166 WeakPolarHBondContact O-CA 3.3Å; S163-L166 WeakPolarHBondContact O-CB 3.17Å; S163-L166 PolarHBondContact O-N 3.47Å; S163-L166 WeakPolarHBondContact OG-CB 3.45Å; S163-L166 PolarHBondContact OG-N 2.93Å; E164-L166 VanDerWaalsContact C-N 3.34Å; E164-L166 PolarHBondContact O-N 3.49Å; L166-R168 PolarHBondContact O-N 3.5Å; L166-R169 PolarHBondContact O-N 2.89Å; L166-R169 VanDerWaalsContact O-N 3.14Å; L166-I170 HydrophobicContact CD1-CD1 4.27Å; L166-I170 HydrophobicContact CD1-CG1 4.38Å; L166-I170 HydrophobicContact CG-CD1 3.91Å; L166-I170 HydrophobicContact CG-CG1 4.48Å; L166-I170 VanDerWaalsContact O-CG1 3.25Å; L166-I170 WeakPolarHBondContact O-CG1 3.47Å; L166-I170 PolarHBondContact O-N 2.98Å
167	E	89.2	Confident	86.7	Confident	36 Å²	36	69.7 Å²	69.7	17%	0.168	33%	0.334	C	S	.	.	H	α-helix	trans	-60.6	-42.9	178.2	-68.7	173.9	-169.6	0	0	112.6	S153 S154 H162 S163 E164 R169 I170 A171	S153-E167 PolarHBondContact OG-O 2.91Å; S154-E167 WeakPolarHBondContact CB-OE2 3.42Å; S154-E167 VanDerWaalsContact OG-CD 3.32Å; S154-E167 PolarHBondContact OG-OE2 2.89Å; H162-E167 WeakPolarHBondContact CB-OE1 3.47Å; H162-E167 IonicContact ND1-OE1 3.35Å; S163-E167 PolarHBondContact O-N 3.43Å; E164-E167 PolarHBondContact O-N 3.1Å; E167-R169 VanDerWaalsContact C-N 3.34Å; E167-I170 PolarHBondContact O-N 3.11Å; E167-A171 PolarHBondContact O-N 2.81Å
168	R	89.9	Confident	87.4	Confident	137 Å²	137	64.5 Å²	64.5	52%	0.517	31%	0.309	S	S	.	.	H	α-helix	trans	-60.7	-43.8	173.1	-78.8	-172.3	-95.4	123.5	-10.3	111.6	E164 L166 A171 E172	E164-R168 WeakPolarHBondContact O-CB 3.48Å; E164-R168 WeakPolarHBondContact O-CG 3.48Å; E164-R168 PolarHBondContact O-N 3.17Å; E164-R168 IonicContact OE1-CZ 3.14Å; E164-R168 VanDerWaalsContact OE1-CZ 3.28Å; E164-R168 IonicContact OE1-NE 3.77Å; E164-R168 PolarHBondContact OE1-NE 2.94Å; E164-R168 IonicContact OE1-NH2 2.77Å; E164-R168 PolarHBondContact OE1-NH2 3.19Å; L166-R168 PolarHBondContact O-N 3.5Å; R168-A171 PolarHBondContact O-N 2.83Å; R168-E172 WeakPolarHBondContact O-CB 3.38Å; R168-E172 PolarHBondContact O-N 3.12Å
169	R	92.6	Very high	87.9	Confident	102 Å²	102	69.1 Å²	69.1	39%	0.385	33%	0.333	S	S	.	.	H	α-helix	trans	-66	-38.1	178.3	-173.3	59.2	-177.5	174.8	7.5	112.5	A129 K165 L166 E167 E172 I173	A129-R169 HydrophobicContact CB-CB 4.12Å; A129-R169 HydrophobicContact CB-CG 3.64Å; K165-R169 PolarHBondContact O-N 3.17Å; K165-R169 VanDerWaalsContact O-N 3.16Å; L166-R169 PolarHBondContact O-N 2.89Å; L166-R169 VanDerWaalsContact O-N 3.14Å; E167-R169 VanDerWaalsContact C-N 3.34Å; R169-E172 WeakPolarHBondContact CD-OE2 3.49Å; R169-E172 IonicContact CZ-OE2 3.21Å; R169-E172 IonicContact NE-OE2 3.28Å; R169-E172 IonicContact NH1-OE1 3.44Å; R169-E172 PolarHBondContact NH1-OE1 2.96Å; R169-E172 VanDerWaalsContact NH1-OE1 3.14Å; R169-E172 IonicContact NH1-OE2 3.74Å; R169-E172 PolarHBondContact NH1-OE2 2.93Å; R169-E172 PolarHBondContact O-N 2.81Å; R169-I173 HydrophobicContact CG-CD1 4.11Å; R169-I173 WeakPolarHBondContact O-CG1 3.49Å; R169-I173 PolarHBondContact O-N 3.39Å; R169-I173 VanDerWaalsContact O-N 3.08Å
170	I	92.8	Very high	88.4	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-61.4	-49.2	174.9	-68.4	162.3	0	0	0	110.2	A129 A132 A133 L136 F158 F159 L166 E167 E172 I173 H174	A129-I170 HydrophobicContact CB-CG1 4.17Å; A132-I170 HydrophobicContact CB-CD1 3.54Å; A132-I170 HydrophobicContact CB-CG1 3.83Å; A132-I170 HydrophobicContact CB-CG2 4.33Å; A133-I170 HydrophobicContact CB-CG2 4.33Å; L136-I170 HydrophobicContact CD2-CG2 3.89Å; F158-I170 HydrophobicContact CD2-CD1 4.13Å; F158-I170 HydrophobicContact CE2-CD1 4.44Å; F158-I170 HydrophobicContact CE2-CG2 4.41Å; F159-I170 HydrophobicContact CE2-CD1 4.35Å; L166-I170 HydrophobicContact CD1-CD1 4.27Å; L166-I170 HydrophobicContact CD1-CG1 4.38Å; L166-I170 HydrophobicContact CG-CD1 3.91Å; L166-I170 HydrophobicContact CG-CG1 4.48Å; L166-I170 VanDerWaalsContact O-CG1 3.25Å; L166-I170 WeakPolarHBondContact O-CG1 3.47Å; L166-I170 PolarHBondContact O-N 2.98Å; E167-I170 PolarHBondContact O-N 3.11Å; I170-E172 VanDerWaalsContact C-N 3.3Å; I170-E172 PolarHBondContact O-N 3.23Å; I170-I173 PolarHBondContact O-N 3.4Å; I170-H174 WeakPolarHBondContact O-CB 3.34Å; I170-H174 PolarHBondContact O-N 3.05Å
171	A	92.1	Very high	89.4	Confident	22 Å²	22	68.7 Å²	68.7	18%	0.182	34%	0.339	C	S	.	.	H	α-helix	trans	-63.7	-36.1	-179.4	0	0	0	0	0	112.4	Y152 E167 R168 K175	Y152-A171 HydrophobicContact CE1-CB 3.85Å; E167-A171 PolarHBondContact O-N 2.81Å; R168-A171 PolarHBondContact O-N 2.83Å; A171-K175 VanDerWaalsContact O-CB 3.26Å; A171-K175 WeakPolarHBondContact O-CB 3.47Å; A171-K175 PolarHBondContact O-N 3.18Å
172	E	93.7	Very high	90.4	Very high	95 Å²	95	66.2 Å²	66.2	44%	0.444	33%	0.333	S	S	.	.	H	α-helix	trans	-61.8	-54.7	174.1	-172	-172.6	177.4	0	0	111.1	R168 R169 I170 H174 K175 T176	R168-E172 WeakPolarHBondContact O-CB 3.38Å; R168-E172 PolarHBondContact O-N 3.12Å; R169-E172 WeakPolarHBondContact CD-OE2 3.49Å; R169-E172 IonicContact CZ-OE2 3.21Å; R169-E172 IonicContact NE-OE2 3.28Å; R169-E172 IonicContact NH1-OE1 3.44Å; R169-E172 PolarHBondContact NH1-OE1 2.96Å; R169-E172 VanDerWaalsContact NH1-OE1 3.14Å; R169-E172 IonicContact NH1-OE2 3.74Å; R169-E172 PolarHBondContact NH1-OE2 2.93Å; R169-E172 PolarHBondContact O-N 2.81Å; I170-E172 VanDerWaalsContact C-N 3.3Å; I170-E172 PolarHBondContact O-N 3.23Å; E172-H174 VanDerWaalsContact C-N 3.33Å; E172-H174 PolarHBondContact O-N 3.41Å; E172-K175 PolarHBondContact O-N 3.01Å; E172-K175 VanDerWaalsContact O-N 3.08Å; E172-T176 PolarHBondContact O-N 2.93Å; E172-T176 PolarHBondContact O-OG1 3.28Å
173	I	95.3	Very high	91.4	Very high	5 Å²	5	65.1 Å²	65.1	3%	0.026	33%	0.332	C	S	.	.	H	α-helix	trans	-58.3	-46.3	179.6	-65.8	167.3	0	0	0	110.7	A129 L130 A133 R169 I170 K175 T176 E177 L178	A129-I173 HydrophobicContact CB-CD1 3.88Å; L130-I173 HydrophobicContact CD1-CG2 4.03Å; A133-I173 HydrophobicContact CB-CB 3.89Å; A133-I173 HydrophobicContact CB-CG2 3.57Å; R169-I173 HydrophobicContact CG-CD1 4.11Å; R169-I173 WeakPolarHBondContact O-CG1 3.49Å; R169-I173 PolarHBondContact O-N 3.39Å; R169-I173 VanDerWaalsContact O-N 3.08Å; I170-I173 PolarHBondContact O-N 3.4Å; I173-K175 VanDerWaalsContact C-N 3.27Å; I173-K175 PolarHBondContact O-N 2.89Å; I173-T176 PolarHBondContact O-N 3.09Å; I173-E177 HydrophobicContact CG2-CB 4.17Å; I173-E177 WeakPolarHBondContact O-CB 3.31Å; I173-E177 PolarHBondContact O-N 3.32Å; I173-L178 HydrophobicContact CG2-CD1 4.31Å; I173-L178 HydrophobicContact CG2-CG 4.22Å; I173-L178 PolarHBondContact O-N 3.26Å
174	H	94.1	Very high	91.7	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-58.1	-40.6	177.4	-178.9	-131.8	0	0	0	112.1	L136 Q137 G141 Y152 I170 E172	L136-H174 HydrophobicContact CD2-CB 4.16Å; Q137-H174 PolarHBondContact OE1-CD2 2.94Å; Q137-H174 PolarHBondContact OE1-NE2 3.45Å; Q137-H174 VanDerWaalsContact OE1-NE2 3.11Å; G141-H174 PolarHBondContact O-NE2 2.91Å; Y152-H174 AromaticContact CE2-ND1 3.62Å; Y152-H174 AromaticContact CZ-ND1 3.62Å; Y152-H174 PolarHBondContact OH-ND1 3.34Å; I170-H174 WeakPolarHBondContact O-CB 3.34Å; I170-H174 PolarHBondContact O-N 3.05Å; E172-H174 VanDerWaalsContact C-N 3.33Å; E172-H174 PolarHBondContact O-N 3.41Å
175	K	92.5	Very high	92.1	Very high	105 Å²	105	62.4 Å²	62.4	46%	0.457	32%	0.317	S	S	.	.	H	α-helix	trans	-75.2	-32.3	179.7	-179.9	176.5	177.2	-175.5	0	113.7	Y143 A171 E172 I173 I179	Y143-K175 HydrophobicContact CD1-CB 4.25Å; Y143-K175 HydrophobicContact CD1-CD 4.13Å; Y143-K175 HydrophobicContact CD1-CG 3.74Å; Y143-K175 HydrophobicContact CD2-CB 4.38Å; Y143-K175 HydrophobicContact CE1-CD 3.81Å; Y143-K175 HydrophobicContact CE1-CG 3.96Å; Y143-K175 HydrophobicContact CG-CB 4.09Å; Y143-K175 HydrophobicContact CG-CG 4.1Å; A171-K175 VanDerWaalsContact O-CB 3.26Å; A171-K175 WeakPolarHBondContact O-CB 3.47Å; A171-K175 PolarHBondContact O-N 3.18Å; E172-K175 PolarHBondContact O-N 3.01Å; E172-K175 VanDerWaalsContact O-N 3.08Å; I173-K175 VanDerWaalsContact C-N 3.27Å; I173-K175 PolarHBondContact O-N 2.89Å; K175-I179 WeakPolarHBondContact O-CD1 3.44Å
176	T	92.7	Very high	92.5	Very high	89 Å²	89	54.8 Å²	54.8	55%	0.546	28%	0.284	S	S	.	.	H	α-helix	trans	-108.5	-32	-169.3	57.5	0	0	0	0	114.4	E172 I173	E172-T176 PolarHBondContact O-N 2.93Å; E172-T176 PolarHBondContact O-OG1 3.28Å; I173-T176 PolarHBondContact O-N 3.09Å
177	E	93.5	Very high	92.8	Very high	106 Å²	106	54.6 Å²	54.6	50%	0.495	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-21.5	-168	-62.9	177.7	-147.2	0	0	113.4	I173	I173-E177 HydrophobicContact CG2-CB 4.17Å; I173-E177 WeakPolarHBondContact O-CB 3.31Å; I173-E177 PolarHBondContact O-N 3.32Å
178	L	93.6	Very high	93.1	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.01	28%	0.283	C	S	.	.			trans	-108.2	-2.4	-169.6	-56.8	-173.1	0	0	0	115.3	A133 Y134 Q137 I173 G180 Q181	A133-L178 HydrophobicContact CB-CD1 3.65Å; A133-L178 VanDerWaalsContact O-CD1 3.26Å; A133-L178 WeakPolarHBondContact O-CD1 3.37Å; Y134-L178 HydrophobicContact CD1-CD1 4.09Å; Y134-L178 HydrophobicContact CD1-CD2 3.82Å; Y134-L178 HydrophobicContact CE1-CD2 3.49Å; Y134-L178 VanDerWaalsContact CE1-CD2 3.49Å; Q137-L178 HydrophobicContact CB-CB 4.3Å; Q137-L178 HydrophobicContact CB-CD1 3.94Å; Q137-L178 HydrophobicContact CG-CB 4.09Å; Q137-L178 PolarHBondContact NE2-O 3.25Å; I173-L178 HydrophobicContact CG2-CD1 4.31Å; I173-L178 HydrophobicContact CG2-CG 4.22Å; I173-L178 PolarHBondContact O-N 3.26Å; L178-G180 PolarHBondContact O-N 2.78Å; L178-Q181 WeakPolarHBondContact O-CB 3.25Å; L178-Q181 WeakPolarHBondContact O-CG 3.33Å; L178-Q181 PolarHBondContact O-N 2.91Å; L178-Q181 VanDerWaalsContact O-N 3.11Å
179	I	92.9	Very high	93.4	Very high	108 Å²	108	49.8 Å²	49.8	55%	0.554	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	131.9	-180	-63.8	169.1	0	0	0	110.8	K175 Q181	K175-I179 WeakPolarHBondContact O-CD1 3.44Å; I179-Q181 VanDerWaalsContact C-N 3.28Å; I179-Q181 PolarHBondContact O-N 3.27Å
180	G	91.1	Very high	93.6	Very high	55 Å²	55	44.9 Å²	44.9	57%	0.567	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.6	-0.2	178.1	0	0	0	0	0	114	D142 L178	D142-G180 PolarHBondContact OD1-N 2.96Å; D142-G180 PolarHBondContact OD2-N 3.38Å; L178-G180 PolarHBondContact O-N 2.78Å
181	Q	94.2	Very high	93.8	Very high	45 Å²	45	44.9 Å²	44.9	21%	0.21	25%	0.249	C	C	.	.			trans	-76.4	130	172.3	-68.1	-169.7	24.7	0	0	110.7	Q137 L178 I179 S186 N189	Q137-Q181 HydrophobicContact CG-CB 4.2Å; Q137-Q181 PolarHBondContact NE2-O 2.99Å; L178-Q181 WeakPolarHBondContact O-CB 3.25Å; L178-Q181 WeakPolarHBondContact O-CG 3.33Å; L178-Q181 PolarHBondContact O-N 2.91Å; L178-Q181 VanDerWaalsContact O-N 3.11Å; I179-Q181 VanDerWaalsContact C-N 3.28Å; I179-Q181 PolarHBondContact O-N 3.27Å; Q181-S186 WeakPolarHBondContact CB-OG 3.29Å; Q181-S186 PolarHBondContact OE1-OG 3.49Å; Q181-N189 PolarHBondContact OE1-ND2 3.4Å; Q181-N189 VanDerWaalsContact OE1-ND2 3.14Å
182	T	92.6	Very high	94	Very high	65 Å²	65	47.5 Å²	47.5	40%	0.399	26%	0.258	S	S	.	.			trans	-72.4	156.2	171.3	78.6	0	0	0	0	110.7	E184 T185 S186	T182-E184 VanDerWaalsContact C-N 3.25Å; T182-E184 VanDerWaalsContact CB-OE2 3.23Å; T182-E184 WeakPolarHBondContact CB-OE2 3.37Å; T182-E184 PolarHBondContact O-N 3.15Å; T182-E184 PolarHBondContact OG1-OE2 2.89Å; T182-T185 WeakPolarHBondContact O-CB 3.25Å; T182-T185 PolarHBondContact O-N 3.24Å; T182-T185 PolarHBondContact OG1-N 3.37Å; T182-T185 PolarHBondContact OG1-OG1 3.11Å; T182-S186 PolarHBondContact O-N 2.9Å; T182-S186 PolarHBondContact O-OG 2.9Å
183	P	91.4	Very high	94.1	Very high	40 Å²	40	45.5 Å²	45.5	26%	0.26	25%	0.248	S	C	.	.	H	α-helix	trans	-52	-43.1	176	-28.5	36.5	0	0	0	113.2	A138 T185 S186 E187	A138-P183 HydrophobicContact CB-CB 4.39Å; P183-T185 VanDerWaalsContact C-N 3.28Å; P183-T185 PolarHBondContact O-N 3.45Å; P183-S186 PolarHBondContact O-N 2.96Å; P183-E187 WeakPolarHBondContact O-CB 3.4Å; P183-E187 WeakPolarHBondContact O-CG 3.38Å; P183-E187 PolarHBondContact O-N 2.79Å
184	E	91.4	Very high	94.1	Very high	66 Å²	66	45.2 Å²	45.2	31%	0.308	25%	0.246	S	C	.	.	H	α-helix	trans	-61.1	-39	179.2	-58.1	72.8	-155.5	0	0	111.9	E102 T182 L188 R339	E102-E184 WeakPolarHBondContact OE1-CG 3.49Å; T182-E184 VanDerWaalsContact C-N 3.25Å; T182-E184 VanDerWaalsContact CB-OE2 3.23Å; T182-E184 WeakPolarHBondContact CB-OE2 3.37Å; T182-E184 PolarHBondContact O-N 3.15Å; T182-E184 PolarHBondContact OG1-OE2 2.89Å; E184-L188 WeakPolarHBondContact O-CB 3.36Å; E184-L188 PolarHBondContact O-N 2.88Å; E184-R339 IonicContact OE1-CZ 3.45Å; E184-R339 IonicContact OE1-NE 3.77Å; E184-R339 IonicContact OE1-NH1 3.06Å; E184-R339 PolarHBondContact OE1-NH1 2.85Å
185	T	93.4	Very high	94.1	Very high	58 Å²	58	47.7 Å²	47.7	36%	0.356	26%	0.258	S	S	.	.	H	α-helix	trans	-71.6	-43.2	179	-56.6	0	0	0	0	110.5	T182 P183 L188 N189	T182-T185 WeakPolarHBondContact O-CB 3.25Å; T182-T185 PolarHBondContact O-N 3.24Å; T182-T185 PolarHBondContact OG1-N 3.37Å; T182-T185 PolarHBondContact OG1-OG1 3.11Å; P183-T185 VanDerWaalsContact C-N 3.28Å; P183-T185 PolarHBondContact O-N 3.45Å; T185-L188 PolarHBondContact O-N 2.88Å; T185-N189 WeakPolarHBondContact O-CB 3.42Å; T185-N189 PolarHBondContact O-N 3.11Å; T185-N189 PolarHBondContact O-ND2 3.36Å
186	S	94.9	Very high	94.2	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66	-40.1	176.5	-62	0	0	0	0	112.5	Q137 Q181 T182 P183 N189 F190	Q137-S186 WeakPolarHBondContact CG-OG 3.31Å; Q181-S186 WeakPolarHBondContact CB-OG 3.29Å; Q181-S186 PolarHBondContact OE1-OG 3.49Å; T182-S186 PolarHBondContact O-N 2.9Å; T182-S186 PolarHBondContact O-OG 2.9Å; P183-S186 PolarHBondContact O-N 2.96Å; S186-N189 PolarHBondContact O-N 3.16Å; S186-F190 VanDerWaalsContact O-CB 3.31Å; S186-F190 WeakPolarHBondContact O-CB 3.39Å; S186-F190 PolarHBondContact O-N 3.03Å
187	E	94.9	Very high	94.2	Very high	9 Å²	9	43.6 Å²	43.6	4%	0.042	24%	0.241	C	C	.	.	H	α-helix	trans	-60.4	-44	172.9	-71.6	164	-176.6	0	0	111.5	Y106 F109 A138 P183 F190 L191 R339	Y106-E187 WeakPolarHBondContact CD2-OE1 3.33Å; Y106-E187 WeakPolarHBondContact CD2-OE2 3.38Å; Y106-E187 WeakPolarHBondContact CE2-OE1 3.48Å; F109-E187 HydrophobicContact CD1-CG 3.92Å; F109-E187 HydrophobicContact CD2-CB 4.19Å; F109-E187 HydrophobicContact CD2-CG 4.19Å; F109-E187 HydrophobicContact CE1-CG 3.97Å; F109-E187 HydrophobicContact CE2-CG 4.25Å; F109-E187 HydrophobicContact CG-CB 4.19Å; F109-E187 HydrophobicContact CG-CG 4.03Å; F109-E187 HydrophobicContact CZ-CG 4.14Å; A138-E187 HydrophobicContact CB-CG 4.07Å; P183-E187 WeakPolarHBondContact O-CB 3.4Å; P183-E187 WeakPolarHBondContact O-CG 3.38Å; P183-E187 PolarHBondContact O-N 2.79Å; E187-F190 WeakPolarHBondContact O-CB 3.34Å; E187-L191 WeakPolarHBondContact O-CG 3.17Å; E187-L191 PolarHBondContact O-N 3.49Å; E187-L191 VanDerWaalsContact O-N 3.1Å; E187-R339 IonicContact OE1-CZ 3.96Å; E187-R339 IonicContact OE1-NE 3.23Å; E187-R339 PolarHBondContact OE1-NE 2.89Å; E187-R339 IonicContact OE1-NH2 3.79Å; E187-R339 IonicContact OE2-CZ 3.69Å; E187-R339 IonicContact OE2-NE 3.71Å; E187-R339 IonicContact OE2-NH2 2.84Å; E187-R339 PolarHBondContact OE2-NH2 3.27Å
188	L	94.7	Very high	94.1	Very high	36 Å²	36	44.1 Å²	44.1	19%	0.188	24%	0.244	C	C	.	.	H	α-helix	trans	-64.2	-48.1	175.9	175.2	62.7	0	0	0	111.7	A97 E184 T185 F190 L191 Q192	A97-L188 HydrophobicContact CB-CD1 3.88Å; E184-L188 WeakPolarHBondContact O-CB 3.36Å; E184-L188 PolarHBondContact O-N 2.88Å; T185-L188 PolarHBondContact O-N 2.88Å; L188-F190 VanDerWaalsContact C-N 3.29Å; L188-F190 PolarHBondContact O-N 2.94Å; L188-L191 PolarHBondContact O-N 3.4Å; L188-L191 VanDerWaalsContact O-N 3.12Å; L188-Q192 HydrophobicContact CD1-CG 4.26Å; L188-Q192 WeakPolarHBondContact O-CG 3.3Å; L188-Q192 PolarHBondContact O-N 3.14Å
189	N	96.1	Very high	94	Very high	36 Å²	36	44.4 Å²	44.4	19%	0.193	25%	0.245	C	C	.	.	H	α-helix	trans	-61.8	-39.3	179	-71.4	-22.6	0	0	0	111.4	Y134 Q181 T185 S186 L191 Q192 K193	Y134-N189 HydrophobicContact CD1-CB 4.04Å; Y134-N189 HydrophobicContact CE1-CB 3.57Å; Y134-N189 HydrophobicContact CE2-CB 4.07Å; Q181-N189 PolarHBondContact OE1-ND2 3.4Å; Q181-N189 VanDerWaalsContact OE1-ND2 3.14Å; T185-N189 WeakPolarHBondContact O-CB 3.42Å; T185-N189 PolarHBondContact O-N 3.11Å; T185-N189 PolarHBondContact O-ND2 3.36Å; S186-N189 PolarHBondContact O-N 3.16Å; N189-L191 PolarHBondContact O-N 2.86Å; N189-Q192 PolarHBondContact O-N 3.45Å; N189-K193 WeakPolarHBondContact O-CB 3.17Å; N189-K193 PolarHBondContact O-N 2.82Å
190	F	97.1	Very high	94.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-56.4	-49.3	171.9	174.2	-85	0	0	0	111.4	F109 V112 L116 L131 Y134 I135 S186 E187 L188 K193 A194	F109-F190 HydrophobicContact CD2-CB 4.21Å; F109-F190 AromaticContact CD2-CD1 3.44Å; F109-F190 HydrophobicContact CD2-CD1 3.44Å; F109-F190 VanDerWaalsContact CD2-CD1 3.44Å; F109-F190 AromaticContact CD2-CE1 3.92Å; F109-F190 HydrophobicContact CD2-CE1 3.92Å; F109-F190 AromaticContact CD2-CG 3.88Å; F109-F190 HydrophobicContact CD2-CG 3.88Å; F109-F190 HydrophobicContact CE2-CB 4.12Å; F109-F190 AromaticContact CE2-CD1 3.75Å; F109-F190 HydrophobicContact CE2-CD1 3.75Å; F109-F190 HydrophobicContact CE2-CD2 4.21Å; F109-F190 HydrophobicContact CE2-CE1 4.17Å; F109-F190 AromaticContact CE2-CG 3.77Å; F109-F190 HydrophobicContact CE2-CG 3.77Å; V112-F190 HydrophobicContact CB-CE1 3.89Å; V112-F190 HydrophobicContact CG1-CE1 3.55Å; V112-F190 HydrophobicContact CG1-CZ 4.03Å; L116-F190 HydrophobicContact CD2-CE2 4.07Å; L116-F190 HydrophobicContact CD2-CZ 4.37Å; L131-F190 HydrophobicContact CB-CD2 4.02Å; L131-F190 HydrophobicContact CB-CE2 3.79Å; L131-F190 HydrophobicContact CD2-CD2 3.51Å; L131-F190 HydrophobicContact CD2-CE2 3.67Å; L131-F190 HydrophobicContact CD2-CG 4.05Å; L131-F190 HydrophobicContact CD2-CZ 4.32Å; L131-F190 HydrophobicContact CG-CD2 4.36Å; L131-F190 HydrophobicContact CG-CE2 4.24Å; L131-F190 WeakPolarHBondContact O-CD2 3.46Å; Y134-F190 HydrophobicContact CD2-CB 4.17Å; Y134-F190 HydrophobicContact CG-CB 4.28Å; I135-F190 HydrophobicContact CD1-CD2 4.27Å; I135-F190 HydrophobicContact CD1-CE2 3.58Å; I135-F190 HydrophobicContact CD1-CZ 4.23Å; I135-F190 HydrophobicContact CG1-CD2 3.91Å; I135-F190 HydrophobicContact CG1-CE2 3.71Å; I135-F190 HydrophobicContact CG1-CZ 4.49Å; S186-F190 VanDerWaalsContact O-CB 3.31Å; S186-F190 WeakPolarHBondContact O-CB 3.39Å; S186-F190 PolarHBondContact O-N 3.03Å; E187-F190 WeakPolarHBondContact O-CB 3.34Å; L188-F190 VanDerWaalsContact C-N 3.29Å; L188-F190 PolarHBondContact O-N 2.94Å; F190-K193 PolarHBondContact O-N 3.08Å; F190-A194 HydrophobicContact CE1-CB 4.42Å; F190-A194 VanDerWaalsContact O-CB 3.3Å; F190-A194 WeakPolarHBondContact O-CB 3.28Å; F190-A194 PolarHBondContact O-N 2.69Å
191	L	96.9	Very high	94.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.7	-41.9	-179.6	-74.2	173	0	0	0	112.3	P96 R105 V108 F109 V112 E187 L188 N189 K193 A194 Q195	P96-L191 HydrophobicContact CB-CB 3.86Å; P96-L191 HydrophobicContact CB-CD1 3.92Å; P96-L191 HydrophobicContact CB-CG 4.33Å; P96-L191 HydrophobicContact CG-CB 4.07Å; R105-L191 HydrophobicContact CG-CD1 3.49Å; R105-L191 VanDerWaalsContact CG-CD1 3.49Å; V108-L191 HydrophobicContact CG1-CD2 3.91Å; F109-L191 HydrophobicContact CB-CD1 4.05Å; F109-L191 HydrophobicContact CB-CD2 4.33Å; F109-L191 HydrophobicContact CB-CG 4.19Å; V112-L191 HydrophobicContact CB-CD2 4.29Å; V112-L191 HydrophobicContact CG2-CD2 4.05Å; E187-L191 WeakPolarHBondContact O-CG 3.17Å; E187-L191 PolarHBondContact O-N 3.49Å; E187-L191 VanDerWaalsContact O-N 3.1Å; L188-L191 PolarHBondContact O-N 3.4Å; L188-L191 VanDerWaalsContact O-N 3.12Å; N189-L191 PolarHBondContact O-N 2.86Å; L191-K193 VanDerWaalsContact C-N 3.29Å; L191-K193 PolarHBondContact O-N 3.44Å; L191-A194 PolarHBondContact O-N 3.31Å; L191-Q195 PolarHBondContact O-N 3.49Å
192	Q	95.9	Very high	94.1	Very high	78 Å²	78	35 Å²	35	36%	0.364	19%	0.185	S	C	.	.	H	α-helix	trans	-62.3	-36	175.1	-75	-178.1	-24.8	0	0	112.3	L188 N189 Q195 T196	L188-Q192 HydrophobicContact CD1-CG 4.26Å; L188-Q192 WeakPolarHBondContact O-CG 3.3Å; L188-Q192 PolarHBondContact O-N 3.14Å; N189-Q192 PolarHBondContact O-N 3.45Å; Q192-Q195 WeakPolarHBondContact O-CG 3.37Å; Q192-T196 WeakPolarHBondContact O-CG2 3.48Å
193	K	96.1	Very high	94	Very high	52 Å²	52	33.3 Å²	33.3	23%	0.226	17%	0.174	C	C	.	.	H	α-helix	trans	-71	-47.7	171.8	-178.3	58.7	177	179.1	0	110.9	D127 L130 L131 N189 F190 L191 Q195 T196	D127-K193 VanDerWaalsContact CG-CE 3.43Å; D127-K193 WeakPolarHBondContact OD1-CE 3.41Å; D127-K193 IonicContact OD1-NZ 3.51Å; D127-K193 PolarHBondContact OD1-NZ 2.78Å; D127-K193 IonicContact OD2-NZ 3.69Å; L130-K193 HydrophobicContact CD2-CD 4.38Å; L130-K193 HydrophobicContact CD2-CG 4.35Å; L131-K193 HydrophobicContact CD2-CB 3.91Å; L131-K193 HydrophobicContact CD2-CG 3.82Å; L131-K193 HydrophobicContact CG-CG 4.24Å; N189-K193 WeakPolarHBondContact O-CB 3.17Å; N189-K193 PolarHBondContact O-N 2.82Å; F190-K193 PolarHBondContact O-N 3.08Å; L191-K193 VanDerWaalsContact C-N 3.29Å; L191-K193 PolarHBondContact O-N 3.44Å; K193-Q195 PolarHBondContact O-N 3.36Å; K193-T196 WeakPolarHBondContact O-CB 3.32Å; K193-T196 PolarHBondContact O-N 3.35Å; K193-T196 VanDerWaalsContact O-N 3.11Å; K193-T196 PolarHBondContact O-OG1 3.01Å
194	A	95.9	Very high	94.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.2	-39.6	-176.1	0	0	0	0	0	113.4	V112 L121 L131 F190 L191 T196 L197 Y200	V112-A194 HydrophobicContact CG1-CB 3.7Å; L121-A194 HydrophobicContact CD2-CB 4.04Å; L131-A194 HydrophobicContact CD2-CB 4.4Å; F190-A194 HydrophobicContact CE1-CB 4.42Å; F190-A194 VanDerWaalsContact O-CB 3.3Å; F190-A194 WeakPolarHBondContact O-CB 3.28Å; F190-A194 PolarHBondContact O-N 2.69Å; L191-A194 PolarHBondContact O-N 3.31Å; A194-T196 PolarHBondContact O-N 2.78Å; A194-T196 VanDerWaalsContact O-N 3.14Å; A194-L197 WeakPolarHBondContact O-CB 3.22Å; A194-L197 PolarHBondContact O-N 3.23Å; A194-Y200 HydrophobicContact CB-CD2 4.42Å; A194-Y200 WeakPolarHBondContact O-CB 3.32Å
195	Q	95	Very high	94.2	Very high	52 Å²	52	31 Å²	31	24%	0.243	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-22.3	178.1	67.2	171.5	26.5	0	0	113.7	P94 L191 Q192 K193 L197 Y200	P94-Q195 PolarHBondContact O-OE1 2.95Å; L191-Q195 PolarHBondContact O-N 3.49Å; Q192-Q195 WeakPolarHBondContact O-CG 3.37Å; K193-Q195 PolarHBondContact O-N 3.36Å; Q195-L197 VanDerWaalsContact C-N 3.28Å; Q195-Y200 HydrophobicContact CB-CD1 4.33Å; Q195-Y200 HydrophobicContact CB-CE1 4.3Å; Q195-Y200 HydrophobicContact CB-CG 4.45Å
196	T	94.6	Very high	94.2	Very high	91 Å²	91	31.3 Å²	31.3	56%	0.558	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-14.7	179.1	68.5	0	0	0	0	112.8	Q192 K193 A194	Q192-T196 WeakPolarHBondContact O-CG2 3.48Å; K193-T196 WeakPolarHBondContact O-CB 3.32Å; K193-T196 PolarHBondContact O-N 3.35Å; K193-T196 VanDerWaalsContact O-N 3.11Å; K193-T196 PolarHBondContact O-OG1 3.01Å; A194-T196 PolarHBondContact O-N 2.78Å; A194-T196 VanDerWaalsContact O-N 3.14Å
197	L	92.9	Very high	94.2	Very high	17 Å²	17	31.8 Å²	31.8	9%	0.089	17%	0.169	C	C	.	.	S	Bend	trans	-80.1	140.6	-179.5	-59.5	175.9	0	0	0	111.2	L121 C123 L131 A194 Q195 T199 Y200	L121-L197 HydrophobicContact CD1-CB 3.99Å; L121-L197 HydrophobicContact CD1-CD1 3.84Å; L121-L197 HydrophobicContact CD2-CD1 3.88Å; L121-L197 HydrophobicContact CG-CD1 3.67Å; C123-L197 HydrophobicContact CB-CD1 3.74Å; C123-L197 HydrophobicContact CB-CD2 4.02Å; L131-L197 HydrophobicContact CD1-CD1 3.87Å; A194-L197 WeakPolarHBondContact O-CB 3.22Å; A194-L197 PolarHBondContact O-N 3.23Å; Q195-L197 VanDerWaalsContact C-N 3.28Å; L197-T199 PolarHBondContact O-N 2.81Å; L197-Y200 WeakPolarHBondContact O-CB 3.13Å; L197-Y200 PolarHBondContact O-N 2.88Å; L197-Y200 VanDerWaalsContact O-N 3.08Å
198	E	89.4	Confident	94.3	Very high	117 Å²	117	37.3 Å²	37.3	55%	0.547	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.2	-174.8	-59.7	-164.4	146.4	0	0	114.4	R232	E198-R232 IonicContact OE1-CZ 3.54Å; E198-R232 IonicContact OE1-NE 3.94Å; E198-R232 IonicContact OE1-NH2 2.74Å; E198-R232 PolarHBondContact OE1-NH2 3.43Å; E198-R232 IonicContact OE2-CZ 2.76Å; E198-R232 IonicContact OE2-NE 3.84Å; E198-R232 PolarHBondContact OE2-NE 3.36Å; E198-R232 IonicContact OE2-NH2 2.9Å
199	T	92.4	Very high	94.3	Very high	7 Å²	7	36.2 Å²	36.2	4%	0.043	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	13.4	-176.7	52.1	0	0	0	0	113.3	R120 L122 L197 G201 V202 L227	R120-T199 WeakPolarHBondContact O-CB 3.27Å; L122-T199 HydrophobicContact CB-CG2 3.96Å; L122-T199 HydrophobicContact CD1-CG2 3.9Å; L122-T199 HydrophobicContact CG-CG2 3.9Å; L122-T199 PolarHBondContact N-OG1 3.31Å; L122-T199 PolarHBondContact O-OG1 3Å; L197-T199 PolarHBondContact O-N 2.81Å; T199-G201 PolarHBondContact O-N 3.4Å; T199-V202 HydrophobicContact CG2-CG2 4.5Å; T199-V202 WeakPolarHBondContact O-CB 3.49Å; T199-V202 WeakPolarHBondContact O-CG2 3.33Å; T199-V202 PolarHBondContact O-N 3.32Å; T199-L227 HydrophobicContact CG2-CD1 4.16Å; T199-L227 HydrophobicContact CG2-CD2 4.48Å
200	Y	95.4	Very high	94.1	Very high	3 Å²	3	37.6 Å²	37.6	1%	0.012	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	127.1	171.8	176.3	-107.3	0	0	0	111.4	Y92 P93 P96 V112 A194 Q195 L197 V202 P221 F222	Y92-Y200 HydrophobicContact CD1-CE2 4.21Å; P93-Y200 WeakPolarHBondContact O-CE1 3.44Å; P93-Y200 PolarHBondContact O-OH 3.46Å; P96-Y200 WeakPolarHBondContact CG-OH 3.16Å; V112-Y200 HydrophobicContact CG2-CE2 3.95Å; A194-Y200 HydrophobicContact CB-CD2 4.42Å; A194-Y200 WeakPolarHBondContact O-CB 3.32Å; Q195-Y200 HydrophobicContact CB-CD1 4.33Å; Q195-Y200 HydrophobicContact CB-CE1 4.3Å; Q195-Y200 HydrophobicContact CB-CG 4.45Å; L197-Y200 WeakPolarHBondContact O-CB 3.13Å; L197-Y200 PolarHBondContact O-N 2.88Å; L197-Y200 VanDerWaalsContact O-N 3.08Å; Y200-V202 VanDerWaalsContact C-N 3.3Å; Y200-V202 PolarHBondContact O-N 2.99Å; Y200-P221 HydrophobicContact CD1-CG 4.44Å; Y200-P221 HydrophobicContact CE1-CG 4.08Å; Y200-F222 HydrophobicContact CD1-CE2 4.05Å
201	G	93.4	Very high	93.8	Very high	4 Å²	4	40.8 Å²	40.8	4%	0.041	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	15.2	-179.6	0	0	0	0	0	115.3	T199 D203	T199-G201 PolarHBondContact O-N 3.4Å; G201-D203 PolarHBondContact O-N 3.45Å
202	V	92.3	Very high	93.5	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.024	24%	0.24	C	C	.	.			trans	-79.1	111.9	178.1	168.6	0	0	0	0	111.4	T199 Y200 P204 A218 T220 T225 L227	T199-V202 HydrophobicContact CG2-CG2 4.5Å; T199-V202 WeakPolarHBondContact O-CB 3.49Å; T199-V202 WeakPolarHBondContact O-CG2 3.33Å; T199-V202 PolarHBondContact O-N 3.32Å; Y200-V202 VanDerWaalsContact C-N 3.3Å; Y200-V202 PolarHBondContact O-N 2.99Å; V202-P204 HydrophobicContact CG1-CB 4.45Å; V202-A218 HydrophobicContact CB-CB 4.26Å; V202-A218 HydrophobicContact CG1-CB 3.71Å; V202-A218 HydrophobicContact CG2-CB 4.21Å; V202-T220 HydrophobicContact CG2-CG2 3.69Å; V202-T225 HydrophobicContact CG2-CG2 4.14Å; V202-L227 HydrophobicContact CG1-CD1 4.04Å
203	D	90.8	Very high	93.4	Very high	29 Å²	29	42.9 Å²	42.9	16%	0.155	24%	0.243	C	C	.	.			trans	-105.3	102	160.5	-164.5	27.3	0	0	0	108.9	R56 R64 R120 G201	R56-D203 IonicContact NH1-OD1 2.91Å; R56-D203 IonicContact NH1-OD2 2.78Å; R56-D203 PolarHBondContact NH1-OD2 3.01Å; R64-D203 IonicContact NH1-OD1 2.84Å; R120-D203 IonicContact CZ-OD1 2.78Å; R120-D203 IonicContact NH1-OD1 3.71Å; R120-D203 PolarHBondContact NH1-OD1 3.08Å; R120-D203 IonicContact NH2-OD1 3.96Å; G201-D203 PolarHBondContact O-N 3.45Å
204	P	91.7	Very high	93.4	Very high	35 Å²	35	44.8 Å²	44.8	23%	0.227	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-76.6	133	-167.5	28.3	-33.7	0	0	0	112.9	V202 F216	V202-P204 HydrophobicContact CG1-CB 4.45Å; P204-F216 HydrophobicContact CB-CB 3.88Å; P204-F216 HydrophobicContact CB-CD1 3.98Å; P204-F216 HydrophobicContact CB-CG 4.22Å
205	H	93.6	Very high	93.3	Very high	22 Å²	22	44.9 Å²	44.9	10%	0.102	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	116.3	169.7	-66	-87.9	0	0	0	109.8	C207 F216 L217 H277 L278	H205-C207 PolarHBondContact O-N 3.17Å; H205-F216 WeakPolarHBondContact O-CA 3.48Å; H205-L217 HydrophobicContact CB-CB 4.42Å; H205-L217 WeakPolarHBondContact CB-O 3.46Å; H205-L217 PolarHBondContact N-O 3.31Å; H205-L217 PolarHBondContact O-N 2.93Å; H205-H277 AromaticContact CE1-CD2 3.58Å; H205-H277 AromaticContact CE1-NE2 3.67Å; H205-L278 HydrophobicContact CB-CD1 3.68Å
206	P	94.2	Very high	93.4	Very high	66 Å²	66	45 Å²	45	43%	0.429	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	126.7	179.8	28.3	-33.1	0	0	0	110.7	F216 P270	P206-F216 HydrophobicContact CB-CD1 4.23Å; P206-F216 HydrophobicContact CB-CE1 4.02Å; P206-P270 WeakPolarHBondContact O-CD 3.42Å
207	C	95.8	Very high	93.4	Very high	10 Å²	10	40.7 Å²	40.7	7%	0.068	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	179.4	176.3	-65.3	0	0	0	0	110.4	H205 A215 L217 F268	H205-C207 PolarHBondContact O-N 3.17Å; C207-A215 CarbonylContact C-O 3.49Å; C207-A215 WeakPolarHBondContact CA-O 3.03Å; C207-A215 PolarHBondContact N-O 3.05Å; C207-A215 PolarHBondContact O-N 3.48Å; C207-L217 HydrophobicContact CB-CD1 3.71Å; C207-F268 CarbonylContact C-O 3.52Å; C207-F268 VanDerWaalsContact CA-O 3.24Å; C207-F268 WeakPolarHBondContact CA-O 3.49Å; C207-F268 WeakPolarHBondContact CB-O 3.41Å
208	K	96.1	Very high	93.6	Very high	125 Å²	125	40 Å²	40	54%	0.543	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	145.7	167.3	-61.6	-176.7	-179.6	-174.7	0	110.4	N213 Y267 F268	K208-N213 CarbonylContact C-O 3.59Å; K208-N213 VanDerWaalsContact CA-O 3.28Å; K208-N213 WeakPolarHBondContact CA-O 3.37Å; K208-Y267 CarbonylContact O-C 3.6Å; K208-Y267 WeakPolarHBondContact O-CA 3.42Å; K208-F268 PolarHBondContact N-O 3.36Å; K208-F268 PolarHBondContact O-N 2.77Å
209	D	94.3	Very high	93.9	Very high	12 Å²	12	35 Å²	35	6%	0.064	21%	0.208	C	C	.	.			trans	-76.7	179.1	169	71.7	10	0	0	0	111.6	S211 G212 N213 Q228 Y267	D209-S211 PolarHBondContact O-N 2.83Å; D209-S211 VanDerWaalsContact OD1-C 3.25Å; D209-S211 VanDerWaalsContact OD1-CA 3.29Å; D209-S211 WeakPolarHBondContact OD1-CA 3.44Å; D209-S211 WeakPolarHBondContact OD1-CB 3.32Å; D209-S211 PolarHBondContact OD1-N 3.25Å; D209-G212 PolarHBondContact O-N 2.77Å; D209-G212 PolarHBondContact OD1-N 2.7Å; D209-N213 PolarHBondContact N-O 3.41Å; D209-N213 PolarHBondContact OD1-N 2.84Å; D209-N213 WeakPolarHBondContact OD2-CB 3.23Å; D209-N213 PolarHBondContact OD2-ND2 2.91Å; D209-Q228 PolarHBondContact OD2-NE2 2.97Å; D209-Y267 HydrophobicContact CB-CD1 4.25Å; D209-Y267 HydrophobicContact CB-CE1 4.12Å
210	V	91.5	Very high	94	Very high	65 Å²	65	34.9 Å²	34.9	39%	0.394	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.9	176.5	-63	0	0	0	0	114.1	T266 F268 N447	V210-T266 HydrophobicContact CG1-CG2 4.31Å; V210-F268 HydrophobicContact CG1-CE2 4.22Å; V210-N447 HydrophobicContact CG2-CB 4.06Å
211	S	91.4	Very high	94	Very high	68 Å²	68	35.1 Å²	35.1	48%	0.476	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-1.8	175.8	-56.2	0	0	0	0	112.6	D209 N213	D209-S211 PolarHBondContact O-N 2.83Å; D209-S211 VanDerWaalsContact OD1-C 3.25Å; D209-S211 VanDerWaalsContact OD1-CA 3.29Å; D209-S211 WeakPolarHBondContact OD1-CA 3.44Å; D209-S211 WeakPolarHBondContact OD1-CB 3.32Å; D209-S211 PolarHBondContact OD1-N 3.25Å; S211-N213 WeakPolarHBondContact CB-ND2 3.46Å
212	G	90.8	Very high	94	Very high	42 Å²	42	39.3 Å²	39.3	43%	0.433	23%	0.226	S	C	.	.	S	Bend	trans	84.4	2.2	-178.7	0	0	0	0	0	114.9	D209	D209-G212 PolarHBondContact O-N 2.77Å; D209-G212 PolarHBondContact OD1-N 2.7Å
213	N	93.9	Very high	94.1	Very high	80 Å²	80	39.1 Å²	39.1	43%	0.428	23%	0.225	S	C	.	.			trans	-72.1	142.9	178.6	-54.9	-57.8	0	0	0	110.6	K208 D209 S211 A215	K208-N213 CarbonylContact C-O 3.59Å; K208-N213 VanDerWaalsContact CA-O 3.28Å; K208-N213 WeakPolarHBondContact CA-O 3.37Å; D209-N213 PolarHBondContact N-O 3.41Å; D209-N213 PolarHBondContact OD1-N 2.84Å; D209-N213 WeakPolarHBondContact OD2-CB 3.23Å; D209-N213 PolarHBondContact OD2-ND2 2.91Å; S211-N213 WeakPolarHBondContact CB-ND2 3.46Å; N213-A215 PolarHBondContact O-N 3.15Å
214	P	95.3	Very high	94.4	Very high	92 Å²	92	37.8 Å²	37.8	60%	0.597	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.7	130.5	174.9	27.5	-33.6	0	0	0	110.5
215	A	95.6	Very high	94.6	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.008	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	138.7	177.5	0	0	0	0	0	109.7	C207 N213 L217 V226 Q228 Y267	C207-A215 CarbonylContact C-O 3.49Å; C207-A215 WeakPolarHBondContact CA-O 3.03Å; C207-A215 PolarHBondContact N-O 3.05Å; C207-A215 PolarHBondContact O-N 3.48Å; N213-A215 PolarHBondContact O-N 3.15Å; A215-L217 HydrophobicContact CB-CD1 4.18Å; A215-V226 HydrophobicContact CB-CG1 4.04Å; A215-Q228 HydrophobicContact CB-CG 4.1Å; A215-Y267 HydrophobicContact CB-CD1 4.31Å; A215-Y267 HydrophobicContact CB-CE1 4.24Å
216	F	95.6	Very high	94.6	Very high	56 Å²	56	35.1 Å²	35.1	25%	0.246	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	116.2	174.4	-63.5	-78.3	0	0	0	109.3	P204 H205 P206 V226 L227	P204-F216 HydrophobicContact CB-CB 3.88Å; P204-F216 HydrophobicContact CB-CD1 3.98Å; P204-F216 HydrophobicContact CB-CG 4.22Å; H205-F216 WeakPolarHBondContact O-CA 3.48Å; P206-F216 HydrophobicContact CB-CD1 4.23Å; P206-F216 HydrophobicContact CB-CE1 4.02Å; F216-V226 WeakPolarHBondContact O-CA 3.35Å; F216-L227 HydrophobicContact CB-CB 4.29Å; F216-L227 PolarHBondContact N-O 2.99Å; F216-L227 PolarHBondContact O-N 3.33Å
217	L	96.1	Very high	94.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	139.3	178.5	-78.3	64.2	0	0	0	109	H205 C207 A215 F224 V226 F251 Y267 L278	H205-L217 HydrophobicContact CB-CB 4.42Å; H205-L217 WeakPolarHBondContact CB-O 3.46Å; H205-L217 PolarHBondContact N-O 3.31Å; H205-L217 PolarHBondContact O-N 2.93Å; C207-L217 HydrophobicContact CB-CD1 3.71Å; A215-L217 HydrophobicContact CB-CD1 4.18Å; L217-F224 HydrophobicContact CB-CE2 3.98Å; L217-F224 HydrophobicContact CB-CZ 4.25Å; L217-F224 HydrophobicContact CD2-CE2 4.05Å; L217-F224 HydrophobicContact CD2-CZ 3.88Å; L217-F224 HydrophobicContact CG-CE2 3.97Å; L217-F224 HydrophobicContact CG-CZ 3.75Å; L217-V226 HydrophobicContact CD1-CG1 4.31Å; L217-V226 HydrophobicContact CG-CG2 4.34Å; L217-F251 HydrophobicContact CD2-CD1 3.8Å; L217-F251 HydrophobicContact CD2-CE1 4.19Å; L217-Y267 HydrophobicContact CD1-CD1 3.93Å; L217-Y267 HydrophobicContact CD1-CD2 4.36Å; L217-Y267 HydrophobicContact CD1-CE1 4.35Å; L217-Y267 HydrophobicContact CD1-CG 3.96Å; L217-Y267 HydrophobicContact CD2-CD2 3.7Å; L217-Y267 HydrophobicContact CD2-CE2 4.37Å; L217-Y267 HydrophobicContact CD2-CG 3.84Å; L217-Y267 HydrophobicContact CG-CD2 4.32Å; L217-Y267 HydrophobicContact CG-CG 4.37Å; L217-L278 HydrophobicContact CB-CD1 4.13Å; L217-L278 HydrophobicContact CD2-CD1 4.48Å; L217-L278 HydrophobicContact CD2-CD2 3.87Å
218	A	95.5	Very high	94.4	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	156.6	175.8	0	0	0	0	0	111.9	V202 F224 T225	V202-A218 HydrophobicContact CB-CB 4.26Å; V202-A218 HydrophobicContact CG1-CB 3.71Å; V202-A218 HydrophobicContact CG2-CB 4.21Å; A218-F224 WeakPolarHBondContact O-CD2 3.3Å; A218-T225 HydrophobicContact CB-CG2 3.88Å; A218-T225 PolarHBondContact N-O 2.78Å; A218-T225 PolarHBondContact O-N 3.41Å
219	F	95.9	Very high	94	Very high	14 Å²	14	31.7 Å²	31.7	6%	0.061	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	119.7	174.8	-52.3	-74.2	0	0	0	107.9	F224 W238 F251 L278 C281 G282 N285	F219-F224 HydrophobicContact CD1-CB 4.47Å; F219-F224 AromaticContact CD1-CD2 3.73Å; F219-F224 HydrophobicContact CD1-CD2 3.73Å; F219-F224 AromaticContact CE1-CD2 3.51Å; F219-F224 HydrophobicContact CE1-CD2 3.51Å; F219-F224 HydrophobicContact CE1-CE2 4.07Å; F219-F224 HydrophobicContact CZ-CD2 4.37Å; F219-W238 HydrophobicContact CB-CH2 4.01Å; F219-W238 HydrophobicContact CB-CZ2 4.14Å; F219-W238 AromaticContact CD1-CH2 3.7Å; F219-W238 HydrophobicContact CD1-CH2 3.7Å; F219-W238 HydrophobicContact CD1-CZ3 4.44Å; F219-W238 HydrophobicContact CG-CH2 4.24Å; F219-F251 HydrophobicContact CZ-CE1 4.45Å; F219-F251 HydrophobicContact CZ-CZ 4.15Å; F219-L278 HydrophobicContact CE2-CD1 3.55Å; F219-L278 HydrophobicContact CE2-CG 4.43Å; F219-L278 VanDerWaalsContact CE2-O 3.3Å; F219-L278 WeakPolarHBondContact CE2-O 3.42Å; F219-L278 HydrophobicContact CZ-CD1 3.72Å; F219-L278 HydrophobicContact CZ-CG 4.35Å; F219-L278 WeakPolarHBondContact CZ-O 3.19Å; F219-C281 HydrophobicContact CD2-CB 3.89Å; F219-C281 HydrophobicContact CE2-CB 3.79Å; F219-G282 VanDerWaalsContact CE2-N 3.29Å; F219-N285 HydrophobicContact CB-CB 3.86Å; F219-N285 HydrophobicContact CG-CB 4.42Å
220	T	95.5	Very high	93.4	Very high	4 Å²	4	36.8 Å²	36.8	3%	0.025	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	170.5	-179.2	74.4	0	0	0	0	109.6	V202 F222 G223 T225 W238	V202-T220 HydrophobicContact CG2-CG2 3.69Å; T220-F222 PolarHBondContact O-N 3.04Å; T220-F222 VanDerWaalsContact O-N 3.13Å; T220-F222 PolarHBondContact OG1-N 3.33Å; T220-G223 PolarHBondContact N-O 3.49Å; T220-G223 PolarHBondContact O-N 3.25Å; T220-G223 PolarHBondContact OG1-N 2.78Å; T220-G223 PolarHBondContact OG1-O 2.62Å; T220-T225 HydrophobicContact CG2-CG2 3.96Å; T220-W238 WeakPolarHBondContact O-CZ2 3.3Å; T220-W238 PolarHBondContact O-NE1 3.34Å
221	P	94.4	Very high	93.2	Very high	8 Å²	8	43.4 Å²	43.4	5%	0.052	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-26.4	175.4	-25.2	37.2	0	0	0	113.4	Y92 P94 Y200 W238 Y289	Y92-P221 WeakPolarHBondContact O-CG 3.38Å; P94-P221 HydrophobicContact CB-CB 4.16Å; P94-P221 HydrophobicContact CG-CB 3.91Å; Y200-P221 HydrophobicContact CD1-CG 4.44Å; Y200-P221 HydrophobicContact CE1-CG 4.08Å; P221-W238 PolarHBondContact O-NE1 3.19Å; P221-Y289 HydrophobicContact CB-CD1 4.36Å; P221-Y289 HydrophobicContact CB-CE1 3.82Å; P221-Y289 HydrophobicContact CG-CE1 4.36Å
222	F	94.5	Very high	93.2	Very high	91 Å²	91	44.2 Å²	44.2	40%	0.399	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-19.8	-175.6	-49.9	-64.4	0	0	0	113.7	P94 Y200 T220 F235	P94-F222 HydrophobicContact CB-CE1 4.17Å; Y200-F222 HydrophobicContact CD1-CE2 4.05Å; T220-F222 PolarHBondContact O-N 3.04Å; T220-F222 VanDerWaalsContact O-N 3.13Å; T220-F222 PolarHBondContact OG1-N 3.33Å; F222-F235 HydrophobicContact CB-CE2 4.31Å; F222-F235 HydrophobicContact CB-CZ 3.86Å
223	G	94.6	Very high	93.3	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.5	-165.1	-178.9	0	0	0	0	0	114.8	T220 L236	T220-G223 PolarHBondContact N-O 3.49Å; T220-G223 PolarHBondContact O-N 3.25Å; T220-G223 PolarHBondContact OG1-N 2.78Å; T220-G223 PolarHBondContact OG1-O 2.62Å; G223-L236 CarbonylContact C-O 3.6Å; G223-L236 VanDerWaalsContact CA-O 3.24Å; G223-L236 WeakPolarHBondContact CA-O 3.22Å
224	F	96.1	Very high	93.2	Very high	1 Å²	1	43.7 Å²	43.7	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	136.8	171.7	170.4	-99.9	0	0	0	110.5	L217 A218 F219 V226 F235 L236 V241 I253 L265 Y267	L217-F224 HydrophobicContact CB-CE2 3.98Å; L217-F224 HydrophobicContact CB-CZ 4.25Å; L217-F224 HydrophobicContact CD2-CE2 4.05Å; L217-F224 HydrophobicContact CD2-CZ 3.88Å; L217-F224 HydrophobicContact CG-CE2 3.97Å; L217-F224 HydrophobicContact CG-CZ 3.75Å; A218-F224 WeakPolarHBondContact O-CD2 3.3Å; F219-F224 HydrophobicContact CD1-CB 4.47Å; F219-F224 AromaticContact CD1-CD2 3.73Å; F219-F224 HydrophobicContact CD1-CD2 3.73Å; F219-F224 AromaticContact CE1-CD2 3.51Å; F219-F224 HydrophobicContact CE1-CD2 3.51Å; F219-F224 HydrophobicContact CE1-CE2 4.07Å; F219-F224 HydrophobicContact CZ-CD2 4.37Å; F224-V226 HydrophobicContact CD1-CG2 4.31Å; F224-V226 HydrophobicContact CE1-CG2 3.26Å; F224-V226 HydrophobicContact CE2-CG2 4.47Å; F224-V226 HydrophobicContact CZ-CG2 3.36Å; F224-F235 WeakPolarHBondContact O-CA 3.42Å; F224-L236 HydrophobicContact CB-CB 4.42Å; F224-L236 HydrophobicContact CD1-CB 4.45Å; F224-L236 HydrophobicContact CD1-CD1 4.03Å; F224-L236 HydrophobicContact CD1-CG 4.4Å; F224-L236 PolarHBondContact N-O 3.22Å; F224-L236 PolarHBondContact O-N 2.8Å; F224-V241 HydrophobicContact CB-CG2 4.32Å; F224-I253 HydrophobicContact CD1-CD1 3.79Å; F224-I253 HydrophobicContact CD2-CD1 4.1Å; F224-I253 HydrophobicContact CE1-CD1 3.15Å; F224-I253 HydrophobicContact CE2-CD1 3.52Å; F224-I253 HydrophobicContact CG-CD1 4.21Å; F224-I253 HydrophobicContact CZ-CD1 2.99Å; F224-I253 HydrophobicContact CZ-CG1 4.46Å; F224-L265 HydrophobicContact CE1-CD1 4.28Å; F224-Y267 HydrophobicContact CZ-CE2 4.41Å
225	T	95.3	Very high	93.1	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	149.6	178.8	-164	0	0	0	0	112.7	V202 A218 T220 R232 H234	V202-T225 HydrophobicContact CG2-CG2 4.14Å; A218-T225 HydrophobicContact CB-CG2 3.88Å; A218-T225 PolarHBondContact N-O 2.78Å; A218-T225 PolarHBondContact O-N 3.41Å; T220-T225 HydrophobicContact CG2-CG2 3.96Å; T225-R232 WeakPolarHBondContact OG1-CD 2.99Å; T225-R232 WeakPolarHBondContact OG1-CG 3.5Å; T225-H234 WeakPolarHBondContact CA-O 3.16Å; T225-H234 PolarHBondContact OG1-O 2.84Å
226	V	95.1	Very high	93.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	124.1	175.7	-173.1	0	0	0	0	108.8	A215 F216 L217 F224 V233 H234 Y267	A215-V226 HydrophobicContact CB-CG1 4.04Å; F216-V226 WeakPolarHBondContact O-CA 3.35Å; L217-V226 HydrophobicContact CD1-CG1 4.31Å; L217-V226 HydrophobicContact CG-CG2 4.34Å; F224-V226 HydrophobicContact CD1-CG2 4.31Å; F224-V226 HydrophobicContact CE1-CG2 3.26Å; F224-V226 HydrophobicContact CE2-CG2 4.47Å; F224-V226 HydrophobicContact CZ-CG2 3.36Å; V226-V233 HydrophobicContact CB-CG2 3.92Å; V226-V233 HydrophobicContact CG1-CG2 3.7Å; V226-V233 WeakPolarHBondContact O-CG2 3.49Å; V226-V233 PolarHBondContact O-N 3.06Å; V226-H234 HydrophobicContact CB-CB 4.04Å; V226-H234 HydrophobicContact CG2-CB 4.02Å; V226-H234 PolarHBondContact N-O 3.31Å; V226-H234 PolarHBondContact O-N 2.86Å; V226-Y267 HydrophobicContact CG1-CE1 4.01Å; V226-Y267 HydrophobicContact CG2-CE2 4.1Å
227	L	93.1	Very high	93.1	Very high	16 Å²	16	44.8 Å²	44.8	8%	0.084	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	131.5	175.7	-55.4	175.3	0	0	0	109.3	T199 V202 F216 R231 R232	T199-L227 HydrophobicContact CG2-CD1 4.16Å; T199-L227 HydrophobicContact CG2-CD2 4.48Å; V202-L227 HydrophobicContact CG1-CD1 4.04Å; F216-L227 HydrophobicContact CB-CB 4.29Å; F216-L227 PolarHBondContact N-O 2.99Å; F216-L227 PolarHBondContact O-N 3.33Å; L227-R231 CarbonylContact C-O 3.58Å; L227-R231 WeakPolarHBondContact CA-O 3.37Å; L227-R232 HydrophobicContact CD2-CB 3.8Å; L227-R232 HydrophobicContact CD2-CG 4.23Å
228	Q	92.6	Very high	93	Very high	59 Å²	59	45.1 Å²	45.1	28%	0.276	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	115	167.1	-71.4	-175.4	-19.2	0	0	107.8	D209 A215 N230 R231 V233	D209-Q228 PolarHBondContact OD2-NE2 2.97Å; A215-Q228 HydrophobicContact CB-CG 4.1Å; Q228-N230 PolarHBondContact O-N 2.9Å; Q228-R231 PolarHBondContact N-O 3.01Å; Q228-R231 PolarHBondContact O-N 3.15Å; Q228-R231 VanDerWaalsContact O-N 3.16Å; Q228-V233 HydrophobicContact CB-CG1 3.88Å; Q228-V233 HydrophobicContact CB-CG2 4.33Å; Q228-V233 HydrophobicContact CG-CG1 4.14Å; Q228-V233 HydrophobicContact CG-CG2 3.8Å
229	G	86.8	Confident	92.8	Very high	54 Å²	54	51.5 Å²	51.5	56%	0.557	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	-128	-164.1	0	0	0	0	0	110.9
230	N	82.8	Confident	92.7	Very high	119 Å²	119	53.1 Å²	53.1	64%	0.636	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	11	178.4	-65	-10	0	0	0	113.3	L122 Q228	L122-N230 HydrophobicContact CD1-CB 4.33Å; Q228-N230 PolarHBondContact O-N 2.9Å
231	R	86.6	Confident	92.6	Very high	204 Å²	204	53 Å²	53	77%	0.77	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.5	136.5	-177.8	-65.2	-172.1	-177.2	-138	2.1	111.1	L227 Q228 V233	L227-R231 CarbonylContact C-O 3.58Å; L227-R231 WeakPolarHBondContact CA-O 3.37Å; Q228-R231 PolarHBondContact N-O 3.01Å; Q228-R231 PolarHBondContact O-N 3.15Å; Q228-R231 VanDerWaalsContact O-N 3.16Å; R231-V233 PolarHBondContact O-N 3.14Å
232	R	91	Very high	92.4	Very high	85 Å²	85	56.1 Å²	56.1	32%	0.321	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	109.8	169.6	-176.2	167.8	61.7	157.3	2.8	109.5	E198 T225 L227	E198-R232 IonicContact OE1-CZ 3.54Å; E198-R232 IonicContact OE1-NE 3.94Å; E198-R232 IonicContact OE1-NH2 2.74Å; E198-R232 PolarHBondContact OE1-NH2 3.43Å; E198-R232 IonicContact OE2-CZ 2.76Å; E198-R232 IonicContact OE2-NE 3.84Å; E198-R232 PolarHBondContact OE2-NE 3.36Å; E198-R232 IonicContact OE2-NH2 2.9Å; T225-R232 WeakPolarHBondContact OG1-CD 2.99Å; T225-R232 WeakPolarHBondContact OG1-CG 3.5Å; L227-R232 HydrophobicContact CD2-CB 3.8Å; L227-R232 HydrophobicContact CD2-CG 4.23Å
233	V	92.3	Very high	92.2	Very high	58 Å²	58	55.2 Å²	55.2	35%	0.352	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	-29.8	-177.1	-65.9	0	0	0	0	112.7	V226 Q228 R231	V226-V233 HydrophobicContact CB-CG2 3.92Å; V226-V233 HydrophobicContact CG1-CG2 3.7Å; V226-V233 WeakPolarHBondContact O-CG2 3.49Å; V226-V233 PolarHBondContact O-N 3.06Å; Q228-V233 HydrophobicContact CB-CG1 3.88Å; Q228-V233 HydrophobicContact CB-CG2 4.33Å; Q228-V233 HydrophobicContact CG-CG1 4.14Å; Q228-V233 HydrophobicContact CG-CG2 3.8Å; R231-V233 PolarHBondContact O-N 3.14Å
234	H	92.2	Very high	92.2	Very high	52 Å²	52	55.3 Å²	55.3	24%	0.241	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	143.8	172.9	-61.3	-76.6	0	0	0	110.9	T225 V226 L265 Y267	T225-H234 WeakPolarHBondContact CA-O 3.16Å; T225-H234 PolarHBondContact OG1-O 2.84Å; V226-H234 HydrophobicContact CB-CB 4.04Å; V226-H234 HydrophobicContact CG2-CB 4.02Å; V226-H234 PolarHBondContact N-O 3.31Å; V226-H234 PolarHBondContact O-N 2.86Å; H234-L265 HydrophobicContact CB-CD1 4.32Å; H234-Y267 PolarHBondContact CD2-OH 3.45Å
235	F	94.4	Very high	92	Very high	65 Å²	65	55.9 Å²	55.9	29%	0.285	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	121.4	170.7	-179.1	-111.5	0	0	0	108	F222 F224 K237	F222-F235 HydrophobicContact CB-CE2 4.31Å; F222-F235 HydrophobicContact CB-CZ 3.86Å; F224-F235 WeakPolarHBondContact O-CA 3.42Å; F235-K237 HydrophobicContact CE1-CG 3.94Å; F235-K237 HydrophobicContact CZ-CG 4.46Å
236	L	94.7	Very high	91.8	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	120.5	179.2	-61.9	175.6	0	0	0	108.3	G223 F224 E240 V241 I253 A255 Q257 I263 L265	G223-L236 CarbonylContact C-O 3.6Å; G223-L236 VanDerWaalsContact CA-O 3.24Å; G223-L236 WeakPolarHBondContact CA-O 3.22Å; F224-L236 HydrophobicContact CB-CB 4.42Å; F224-L236 HydrophobicContact CD1-CB 4.45Å; F224-L236 HydrophobicContact CD1-CD1 4.03Å; F224-L236 HydrophobicContact CD1-CG 4.4Å; F224-L236 PolarHBondContact N-O 3.22Å; F224-L236 PolarHBondContact O-N 2.8Å; L236-E240 WeakPolarHBondContact CA-OE2 3.41Å; L236-V241 HydrophobicContact CB-CG2 3.91Å; L236-I253 HydrophobicContact CD1-CG2 4.02Å; L236-A255 HydrophobicContact CD1-CB 3.69Å; L236-A255 HydrophobicContact CD2-CB 4.13Å; L236-A255 HydrophobicContact CG-CB 4.44Å; L236-Q257 HydrophobicContact CD2-CG 4.39Å; L236-I263 HydrophobicContact CD2-CD1 4.03Å; L236-L265 HydrophobicContact CD1-CD1 3.71Å
237	K	94.9	Very high	91.5	Very high	108 Å²	108	60.6 Å²	60.6	47%	0.47	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	157.3	176.7	-61.1	-179.3	178.6	174.9	0	110.6	F235 E239 E240 V241	F235-K237 HydrophobicContact CE1-CG 3.94Å; F235-K237 HydrophobicContact CZ-CG 4.46Å; K237-E239 VanDerWaalsContact CB-OE2 3.24Å; K237-E239 WeakPolarHBondContact CB-OE2 3.25Å; K237-E239 PolarHBondContact O-N 3.11Å; K237-E240 HydrophobicContact CB-CG 4.27Å; K237-E240 PolarHBondContact N-OE2 2.64Å; K237-E240 WeakPolarHBondContact O-CB 3.24Å; K237-E240 PolarHBondContact O-N 2.7Å; K237-V241 PolarHBondContact O-N 3.12Å; K237-V241 VanDerWaalsContact O-N 3.17Å
238	W	93.9	Very high	91.4	Very high	6 Å²	6	62.9 Å²	62.9	2%	0.023	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-31	-178.3	-72.6	121.9	0	0	0	113.1	F219 T220 P221 E240 V241 N285 Q286 Y289 K290	F219-W238 HydrophobicContact CB-CH2 4.01Å; F219-W238 HydrophobicContact CB-CZ2 4.14Å; F219-W238 AromaticContact CD1-CH2 3.7Å; F219-W238 HydrophobicContact CD1-CH2 3.7Å; F219-W238 HydrophobicContact CD1-CZ3 4.44Å; F219-W238 HydrophobicContact CG-CH2 4.24Å; T220-W238 WeakPolarHBondContact O-CZ2 3.3Å; T220-W238 PolarHBondContact O-NE1 3.34Å; P221-W238 PolarHBondContact O-NE1 3.19Å; W238-E240 VanDerWaalsContact C-N 3.34Å; W238-V241 PolarHBondContact O-N 3.31Å; W238-N285 HydrophobicContact CH2-CB 3.59Å; W238-N285 HydrophobicContact CZ2-CB 3.62Å; W238-Q286 HydrophobicContact CE3-CB 3.92Å; W238-Q286 HydrophobicContact CE3-CG 4.03Å; W238-Q286 HydrophobicContact CZ3-CB 3.7Å; W238-Q286 HydrophobicContact CZ3-CG 4.26Å; W238-Y289 AromaticContact CE2-CD2 3.95Å; W238-Y289 HydrophobicContact CZ2-CD2 4.13Å; W238-Y289 AromaticContact NE1-CD2 3.51Å; W238-Y289 AromaticContact NE1-CG 3.88Å; W238-K290 HydrophobicContact CB-CB 4.21Å; W238-K290 HydrophobicContact CB-CG 4.42Å; W238-K290 VanDerWaalsContact O-CD 3.29Å; W238-K290 WeakPolarHBondContact O-CD 3.18Å; W238-K290 WeakPolarHBondContact O-CE 3.4Å; W238-K290 PolarHBondContact O-NZ 2.83Å
239	E	91.8	Very high	91.4	Very high	136 Å²	136	64.8 Å²	64.8	64%	0.636	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-41.6	175.4	-60.2	74.5	-160.8	0	0	111.3	K237 K290	K237-E239 VanDerWaalsContact CB-OE2 3.24Å; K237-E239 WeakPolarHBondContact CB-OE2 3.25Å; K237-E239 PolarHBondContact O-N 3.11Å; E239-K290 PolarHBondContact O-NZ 2.91Å
240	E	93.1	Very high	91.8	Very high	47 Å²	47	63.7 Å²	63.7	22%	0.22	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-31.6	-178.6	-61.1	166	-178.1	0	0	111.9	L236 K237 W238 T242 A255 T256	L236-E240 WeakPolarHBondContact CA-OE2 3.41Å; K237-E240 HydrophobicContact CB-CG 4.27Å; K237-E240 PolarHBondContact N-OE2 2.64Å; K237-E240 WeakPolarHBondContact O-CB 3.24Å; K237-E240 PolarHBondContact O-N 2.7Å; W238-E240 VanDerWaalsContact C-N 3.34Å; E240-T242 PolarHBondContact O-N 3.33Å; E240-A255 CarbonylContact O-C 3.58Å; E240-A255 WeakPolarHBondContact O-CA 3.34Å; E240-A255 WeakPolarHBondContact O-CB 3.47Å; E240-T256 WeakPolarHBondContact CB-O 3.35Å; E240-T256 PolarHBondContact O-N 3Å
241	V	93.7	Very high	92.4	Very high	1 Å²	1	58 Å²	58	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	113.9	178.6	-179.1	0	0	0	0	110.5	F224 L236 K237 W238 L244 I253 Q286 K290	F224-V241 HydrophobicContact CB-CG2 4.32Å; L236-V241 HydrophobicContact CB-CG2 3.91Å; K237-V241 PolarHBondContact O-N 3.12Å; K237-V241 VanDerWaalsContact O-N 3.17Å; W238-V241 PolarHBondContact O-N 3.31Å; V241-L244 HydrophobicContact CG1-CD2 3.87Å; V241-L244 HydrophobicContact CG1-CG 4.23Å; V241-I253 HydrophobicContact CG1-CG2 4.39Å; V241-Q286 PolarHBondContact O-NE2 2.91Å; V241-K290 PolarHBondContact O-NZ 2.74Å
242	T	91.4	Very high	92.8	Very high	74 Å²	74	49.9 Å²	49.9	45%	0.454	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-44.9	-176.8	58.4	0	0	0	0	112.6	E240 Y254 T256	E240-T242 PolarHBondContact O-N 3.33Å; T242-Y254 PolarHBondContact N-O 3.32Å; T242-Y254 VanDerWaalsContact OG1-C 3.27Å; T242-Y254 VanDerWaalsContact OG1-CB 3.28Å; T242-Y254 WeakPolarHBondContact OG1-CB 3.41Å; T242-Y254 PolarHBondContact OG1-O 2.68Å; T242-T256 WeakPolarHBondContact CG2-OG1 2.99Å
243	K	90.7	Very high	93	Very high	72 Å²	72	45.8 Å²	45.8	31%	0.313	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	143.6	-177.2	-168.8	171.9	-179.1	177.9	0	111.6	K245 Y254 N304	K243-K245 HydrophobicContact CD-CG 4.28Å; K243-K245 HydrophobicContact CG-CG 4.23Å; K243-Y254 HydrophobicContact CB-CD2 3.98Å; K243-Y254 HydrophobicContact CB-CG 4.21Å; K243-Y254 HydrophobicContact CG-CD2 4.41Å; K243-Y254 PolarHBondContact N-O 2.68Å; K243-Y254 WeakPolarHBondContact O-CD2 3.46Å; K243-Y254 PolarHBondContact O-N 2.99Å; K243-N304 PolarHBondContact NZ-OD1 3.03Å
244	L	93.6	Very high	93.1	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.5	172.1	-58.7	176	0	0	0	109	V241 F251 I253 W279	V241-L244 HydrophobicContact CG1-CD2 3.87Å; V241-L244 HydrophobicContact CG1-CG 4.23Å; L244-F251 HydrophobicContact CB-CE2 4.48Å; L244-F251 HydrophobicContact CB-CZ 4.46Å; L244-F251 HydrophobicContact CD2-CZ 3.98Å; L244-I253 HydrophobicContact CD2-CB 4.24Å; L244-I253 HydrophobicContact CD2-CG1 3.97Å; L244-I253 HydrophobicContact CD2-CG2 3.87Å; L244-W279 PolarHBondContact O-NE1 3.37Å
245	K	91.1	Very high	93.1	Very high	13 Å²	13	41.7 Å²	41.7	6%	0.057	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	155.2	175.5	-65	-174.7	-169.4	157	0	110	K243 F251 H252 Y254 E460	K243-K245 HydrophobicContact CD-CG 4.28Å; K243-K245 HydrophobicContact CG-CG 4.23Å; K245-F251 WeakPolarHBondContact O-CD2 3.28Å; K245-H252 HydrophobicContact CB-CB 4.37Å; K245-H252 PolarHBondContact N-O 3.19Å; K245-H252 PolarHBondContact O-N 3.14Å; K245-Y254 HydrophobicContact CB-CE2 4.27Å; K245-Y254 HydrophobicContact CD-CE2 3.69Å; K245-Y254 HydrophobicContact CG-CE2 3.88Å; K245-Y254 PolarHBondContact NZ-OH 3.08Å; K245-E460 IonicContact NZ-OE1 2.68Å; K245-E460 PolarHBondContact NZ-OE1 2.76Å
246	F	92.2	Very high	93	Very high	16 Å²	16	40.3 Å²	40.3	7%	0.07	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	147	166.5	86	-83.7	0	0	0	110.4	T250 F251 C275 K276 W279 S302	F246-T250 CarbonylContact C-O 3.55Å; F246-T250 VanDerWaalsContact CA-O 3.22Å; F246-T250 WeakPolarHBondContact CA-O 3.22Å; F246-F251 HydrophobicContact CB-CD2 4.15Å; F246-C275 HydrophobicContact CD2-CB 4.36Å; F246-K276 HydrophobicContact CE1-CB 4.4Å; F246-K276 HydrophobicContact CE1-CG 4.23Å; F246-K276 HydrophobicContact CE2-CB 3.82Å; F246-K276 HydrophobicContact CE2-CG 4.31Å; F246-K276 HydrophobicContact CZ-CB 3.75Å; F246-K276 HydrophobicContact CZ-CD 4.2Å; F246-K276 HydrophobicContact CZ-CG 3.72Å; F246-W279 HydrophobicContact CB-CB 4.06Å; F246-W279 HydrophobicContact CB-CG 4.34Å; F246-W279 HydrophobicContact CD1-CB 3.56Å; F246-W279 AromaticContact CD1-CD1 3.93Å; F246-W279 AromaticContact CD1-CD2 3.47Å; F246-W279 HydrophobicContact CD1-CD2 3.47Å; F246-W279 VanDerWaalsContact CD1-CD2 3.47Å; F246-W279 AromaticContact CD1-CE3 3.79Å; F246-W279 HydrophobicContact CD1-CE3 3.79Å; F246-W279 AromaticContact CD1-CG 3.37Å; F246-W279 HydrophobicContact CD1-CG 3.37Å; F246-W279 HydrophobicContact CE1-CB 4.3Å; F246-W279 AromaticContact CE1-CD2 3.68Å; F246-W279 HydrophobicContact CE1-CD2 3.68Å; F246-W279 AromaticContact CE1-CE3 3.48Å; F246-W279 HydrophobicContact CE1-CE3 3.48Å; F246-W279 VanDerWaalsContact CE1-CE3 3.48Å; F246-W279 HydrophobicContact CE1-CG 4.06Å; F246-W279 AromaticContact CE1-CZ3 3.95Å; F246-W279 HydrophobicContact CE1-CZ3 3.95Å; F246-W279 HydrophobicContact CG-CB 4.04Å; F246-W279 HydrophobicContact CG-CG 4.23Å; F246-S302 VanDerWaalsContact CD1-CB 3.42Å
247	E	89.6	Confident	92.3	Very high	85 Å²	85	44 Å²	44	40%	0.397	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	117.8	176.3	-178	165.3	-169.5	0	0	109.7	K249 T250 A463	E247-K249 PolarHBondContact O-N 2.81Å; E247-T250 PolarHBondContact N-O 3.25Å; E247-T250 WeakPolarHBondContact O-CB 3.43Å; E247-T250 PolarHBondContact O-N 2.94Å; E247-A463 WeakPolarHBondContact OE2-CB 3.33Å
248	A	89.5	Confident	91	Very high	65 Å²	65	45.6 Å²	45.6	54%	0.537	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	-107.8	-170.7	0	0	0	0	0	111.4	P272 C275	A248-P272 WeakPolarHBondContact O-CA 3.44Å; A248-C275 WeakPolarHBondContact O-CB 3.38Å
249	K	93.9	Very high	89.9	Confident	99 Å²	99	52.5 Å²	52.5	43%	0.43	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-9.5	178.9	-62.7	-171.3	-178.2	-162.6	0	113.5	E247 A269 P270 P272 C275	E247-K249 PolarHBondContact O-N 2.81Å; K249-A269 PolarHBondContact O-N 2.96Å; K249-P270 WeakPolarHBondContact CE-O 3.43Å; K249-P270 PolarHBondContact NZ-O 3.46Å; K249-P272 HydrophobicContact CG-CG 3.99Å; K249-C275 PolarHBondContact O-SG 3.38Å; K249-C275 VanDerWaalsContact O-SG 3.35Å
250	T	94.5	Very high	88.9	Confident	30 Å²	30	52.8 Å²	52.8	18%	0.184	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	129.9	-172.5	-47.6	0	0	0	0	110.6	F246 E247 H252 T266 Y267 F268 C275	F246-T250 CarbonylContact C-O 3.55Å; F246-T250 VanDerWaalsContact CA-O 3.22Å; F246-T250 WeakPolarHBondContact CA-O 3.22Å; E247-T250 PolarHBondContact N-O 3.25Å; E247-T250 WeakPolarHBondContact O-CB 3.43Å; E247-T250 PolarHBondContact O-N 2.94Å; T250-H252 VanDerWaalsContact CG2-CE1 3.44Å; T250-H252 WeakPolarHBondContact CG2-CE1 3.39Å; T250-H252 VanDerWaalsContact CG2-NE2 3.35Å; T250-H252 WeakPolarHBondContact CG2-NE2 3.37Å; T250-T266 HydrophobicContact CG2-CG2 3.57Å; T250-Y267 CarbonylContact C-O 3.59Å; T250-Y267 WeakPolarHBondContact CA-O 3.28Å; T250-F268 HydrophobicContact CG2-CD1 4.07Å; T250-F268 HydrophobicContact CG2-CE1 3.75Å; T250-F268 HydrophobicContact CG2-CZ 4.41Å; T250-F268 WeakPolarHBondContact OG1-CE1 3.48Å; T250-C275 VanDerWaalsContact C-SG 3.6Å
251	F	96.3	Very high	88.3	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.8	176.8	-174.1	-116.9	0	0	0	109.5	L217 F219 L244 K245 F246 I253 T266 Y267 L278 W279	L217-F251 HydrophobicContact CD2-CD1 3.8Å; L217-F251 HydrophobicContact CD2-CE1 4.19Å; F219-F251 HydrophobicContact CZ-CE1 4.45Å; F219-F251 HydrophobicContact CZ-CZ 4.15Å; L244-F251 HydrophobicContact CB-CE2 4.48Å; L244-F251 HydrophobicContact CB-CZ 4.46Å; L244-F251 HydrophobicContact CD2-CZ 3.98Å; K245-F251 WeakPolarHBondContact O-CD2 3.28Å; F246-F251 HydrophobicContact CB-CD2 4.15Å; F251-I253 HydrophobicContact CD1-CD1 3.94Å; F251-I253 HydrophobicContact CD1-CG1 3.78Å; F251-I253 HydrophobicContact CE1-CD1 3.51Å; F251-I253 HydrophobicContact CE1-CG1 3.34Å; F251-I253 HydrophobicContact CZ-CG1 4.04Å; F251-T266 WeakPolarHBondContact O-CA 2.98Å; F251-Y267 PolarHBondContact N-O 2.84Å; F251-Y267 PolarHBondContact O-N 3.39Å; F251-L278 HydrophobicContact CB-CD2 3.97Å; F251-L278 HydrophobicContact CD1-CD2 3.61Å; F251-L278 HydrophobicContact CD1-CG 4.26Å; F251-L278 HydrophobicContact CD2-CD2 4.09Å; F251-L278 HydrophobicContact CD2-CG 4.36Å; F251-L278 HydrophobicContact CE1-CD2 4.02Å; F251-L278 HydrophobicContact CE1-CG 4.19Å; F251-L278 HydrophobicContact CE2-CD2 4.5Å; F251-L278 HydrophobicContact CE2-CG 4.35Å; F251-L278 HydrophobicContact CG-CD2 3.62Å; F251-L278 HydrophobicContact CG-CG 4.33Å; F251-L278 HydrophobicContact CZ-CD2 4.46Å; F251-L278 HydrophobicContact CZ-CG 4.25Å; F251-W279 HydrophobicContact CD2-CB 4.23Å; F251-W279 HydrophobicContact CE2-CB 3.85Å; F251-W279 HydrophobicContact CE2-CG 4.41Å
252	H	94.5	Very high	88.1	Confident	33 Å²	33	62.5 Å²	62.5	15%	0.153	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.9	-180	-58.7	-76	0	0	0	110.9	K245 T250 Y254 L265 T266	K245-H252 HydrophobicContact CB-CB 4.37Å; K245-H252 PolarHBondContact N-O 3.19Å; K245-H252 PolarHBondContact O-N 3.14Å; T250-H252 VanDerWaalsContact CG2-CE1 3.44Å; T250-H252 WeakPolarHBondContact CG2-CE1 3.39Å; T250-H252 VanDerWaalsContact CG2-NE2 3.35Å; T250-H252 WeakPolarHBondContact CG2-NE2 3.37Å; H252-Y254 HydrophobicContact CB-CE2 3.96Å; H252-L265 WeakPolarHBondContact CA-O 3.47Å; H252-T266 PolarHBondContact ND1-OG1 3.19Å
253	I	94.9	Very high	88.1	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	116	179.4	-52.9	166.7	0	0	0	107.1	F224 L236 V241 L244 F251 I264 L265 Y267	F224-I253 HydrophobicContact CD1-CD1 3.79Å; F224-I253 HydrophobicContact CD2-CD1 4.1Å; F224-I253 HydrophobicContact CE1-CD1 3.15Å; F224-I253 HydrophobicContact CE2-CD1 3.52Å; F224-I253 HydrophobicContact CG-CD1 4.21Å; F224-I253 HydrophobicContact CZ-CD1 2.99Å; F224-I253 HydrophobicContact CZ-CG1 4.46Å; L236-I253 HydrophobicContact CD1-CG2 4.02Å; V241-I253 HydrophobicContact CG1-CG2 4.39Å; L244-I253 HydrophobicContact CD2-CB 4.24Å; L244-I253 HydrophobicContact CD2-CG1 3.97Å; L244-I253 HydrophobicContact CD2-CG2 3.87Å; F251-I253 HydrophobicContact CD1-CD1 3.94Å; F251-I253 HydrophobicContact CD1-CG1 3.78Å; F251-I253 HydrophobicContact CE1-CD1 3.51Å; F251-I253 HydrophobicContact CE1-CG1 3.34Å; F251-I253 HydrophobicContact CZ-CG1 4.04Å; I253-I264 WeakPolarHBondContact O-CA 3.49Å; I253-L265 HydrophobicContact CB-CB 4.28Å; I253-L265 PolarHBondContact N-O 3.31Å; I253-L265 PolarHBondContact O-N 3.33Å; I253-Y267 HydrophobicContact CD1-CD2 4.36Å; I253-Y267 HydrophobicContact CD1-CE2 4.3Å
254	Y	93.6	Very high	88.2	Confident	23 Å²	23	56.7 Å²	56.7	9%	0.09	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	127.2	174.5	-61.2	-102.8	0	0	0	107.4	T242 K243 K245 H252 I264 E456	T242-Y254 PolarHBondContact N-O 3.32Å; T242-Y254 VanDerWaalsContact OG1-C 3.27Å; T242-Y254 VanDerWaalsContact OG1-CB 3.28Å; T242-Y254 WeakPolarHBondContact OG1-CB 3.41Å; T242-Y254 PolarHBondContact OG1-O 2.68Å; K243-Y254 HydrophobicContact CB-CD2 3.98Å; K243-Y254 HydrophobicContact CB-CG 4.21Å; K243-Y254 HydrophobicContact CG-CD2 4.41Å; K243-Y254 PolarHBondContact N-O 2.68Å; K243-Y254 WeakPolarHBondContact O-CD2 3.46Å; K243-Y254 PolarHBondContact O-N 2.99Å; K245-Y254 HydrophobicContact CB-CE2 4.27Å; K245-Y254 HydrophobicContact CD-CE2 3.69Å; K245-Y254 HydrophobicContact CG-CE2 3.88Å; K245-Y254 PolarHBondContact NZ-OH 3.08Å; H252-Y254 HydrophobicContact CB-CE2 3.96Å; Y254-I264 HydrophobicContact CD1-CD1 3.82Å; Y254-I264 HydrophobicContact CD1-CG1 3.72Å; Y254-I264 HydrophobicContact CE1-CD1 3.46Å; Y254-I264 VanDerWaalsContact CE1-CD1 3.46Å; Y254-I264 HydrophobicContact CE1-CG1 3.88Å; Y254-I264 HydrophobicContact CE1-CG2 4.45Å; Y254-E456 HydrophobicContact CE1-CG 4.15Å
255	A	93.7	Very high	88.2	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.008	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	157.8	176.8	0	0	0	0	0	111.6	L236 E240 K262 I263	L236-A255 HydrophobicContact CD1-CB 3.69Å; L236-A255 HydrophobicContact CD2-CB 4.13Å; L236-A255 HydrophobicContact CG-CB 4.44Å; E240-A255 CarbonylContact O-C 3.58Å; E240-A255 WeakPolarHBondContact O-CA 3.34Å; E240-A255 WeakPolarHBondContact O-CB 3.47Å; A255-K262 CarbonylContact O-C 3.58Å; A255-K262 WeakPolarHBondContact O-CA 3.4Å; A255-I263 HydrophobicContact CB-CD1 4.3Å; A255-I263 HydrophobicContact CB-CG1 3.92Å; A255-I263 PolarHBondContact N-O 3.04Å; A255-I263 PolarHBondContact O-N 3.36Å
256	T	91.3	Very high	88.4	Confident	36 Å²	36	57 Å²	57	22%	0.221	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	119.8	174.8	-54.5	0	0	0	0	108.2	E240 T242 D260 R261	E240-T256 WeakPolarHBondContact CB-O 3.35Å; E240-T256 PolarHBondContact O-N 3Å; T242-T256 WeakPolarHBondContact CG2-OG1 2.99Å; T256-D260 HydrophobicContact CG2-CB 4.41Å; T256-R261 WeakPolarHBondContact CA-O 3.4Å
257	Q	80.5	Confident	88.7	Confident	76 Å²	76	56.3 Å²	56.3	36%	0.355	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	158.1	173.8	-80.1	-174.2	2.1	0	0	110.6	L236 D260 R261 I263	L236-Q257 HydrophobicContact CD2-CG 4.39Å; Q257-D260 PolarHBondContact O-N 3.39Å; Q257-R261 PolarHBondContact N-O 3.18Å; Q257-R261 PolarHBondContact O-N 3.45Å; Q257-I263 HydrophobicContact CG-CD1 4.08Å
258	N	67.9	Low	89	Confident	142 Å²	142	56.1 Å²	56.1	76%	0.759	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-8.3	123.8	175.8	-61.5	-24.7	0	0	0	115.4
259	E	70.3	Confident	89.3	Confident	151 Å²	151	53.4 Å²	53.4	71%	0.706	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	32.8	-174.1	-48.1	174.4	163.6	0	0	114.8	R261	E259-R261 HydrophobicContact CB-CG 4.44Å; E259-R261 PolarHBondContact O-N 3.3Å; E259-R261 IonicContact OE2-CZ 3.83Å; E259-R261 IonicContact OE2-NE 3.53Å; E259-R261 PolarHBondContact OE2-NE 2.79Å; E259-R261 IonicContact OE2-NH2 3Å; E259-R261 PolarHBondContact OE2-NH2 2.89Å
260	D	69.9	Low	89.2	Confident	143 Å²	143	52.1 Å²	52.1	77%	0.765	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	23.6	179.5	-68.7	-39.9	0	0	0	114.9	T256 Q257 K262	T256-D260 HydrophobicContact CG2-CB 4.41Å; Q257-D260 PolarHBondContact O-N 3.39Å; D260-K262 PolarHBondContact O-N 2.93Å
261	R	81.5	Confident	89.1	Confident	138 Å²	138	53.1 Å²	53.1	52%	0.521	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	115.2	178.1	-64.3	-174.8	-172.4	-166.9	3.8	109.7	T256 Q257 E259	T256-R261 WeakPolarHBondContact CA-O 3.4Å; Q257-R261 PolarHBondContact N-O 3.18Å; Q257-R261 PolarHBondContact O-N 3.45Å; E259-R261 HydrophobicContact CB-CG 4.44Å; E259-R261 PolarHBondContact O-N 3.3Å; E259-R261 IonicContact OE2-CZ 3.83Å; E259-R261 IonicContact OE2-NE 3.53Å; E259-R261 PolarHBondContact OE2-NE 2.79Å; E259-R261 IonicContact OE2-NH2 3Å; E259-R261 PolarHBondContact OE2-NH2 2.89Å
262	K	88.6	Confident	88.9	Confident	113 Å²	113	55.6 Å²	55.6	49%	0.491	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	123.9	175.7	-64.4	-179.6	-176.8	176.4	0	110	A255 D260 C451	A255-K262 CarbonylContact O-C 3.58Å; A255-K262 WeakPolarHBondContact O-CA 3.4Å; D260-K262 PolarHBondContact O-N 2.93Å; K262-C451 PolarHBondContact O-N 3.41Å
263	I	91.6	Very high	88.7	Confident	12 Å²	12	58.6 Å²	58.6	6%	0.062	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	147.8	174	63.5	169.5	0	0	0	109.7	L236 A255 Q257 G448	L236-I263 HydrophobicContact CD2-CD1 4.03Å; A255-I263 HydrophobicContact CB-CD1 4.3Å; A255-I263 HydrophobicContact CB-CG1 3.92Å; A255-I263 PolarHBondContact N-O 3.04Å; A255-I263 PolarHBondContact O-N 3.36Å; Q257-I263 HydrophobicContact CG-CD1 4.08Å; I263-G448 WeakPolarHBondContact CG2-O 3.3Å
264	I	93	Very high	88.6	Confident	13 Å²	13	59 Å²	59	7%	0.067	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	117.1	173.4	-54.7	176.9	0	0	0	107.9	I253 Y254 C451	I253-I264 WeakPolarHBondContact O-CA 3.49Å; Y254-I264 HydrophobicContact CD1-CD1 3.82Å; Y254-I264 HydrophobicContact CD1-CG1 3.72Å; Y254-I264 HydrophobicContact CE1-CD1 3.46Å; Y254-I264 VanDerWaalsContact CE1-CD1 3.46Å; Y254-I264 HydrophobicContact CE1-CG1 3.88Å; Y254-I264 HydrophobicContact CE1-CG2 4.45Å; I264-C451 HydrophobicContact CD1-CB 3.73Å; I264-C451 HydrophobicContact CG1-CB 3.94Å
265	L	94.3	Very high	88.6	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132.1	170.6	-55.1	-179.3	0	0	0	109.4	F224 H234 L236 H252 I253 Y267	F224-L265 HydrophobicContact CE1-CD1 4.28Å; H234-L265 HydrophobicContact CB-CD1 4.32Å; L236-L265 HydrophobicContact CD1-CD1 3.71Å; H252-L265 WeakPolarHBondContact CA-O 3.47Å; I253-L265 HydrophobicContact CB-CB 4.28Å; I253-L265 PolarHBondContact N-O 3.31Å; I253-L265 PolarHBondContact O-N 3.33Å; L265-Y267 HydrophobicContact CB-CD2 4.43Å; L265-Y267 HydrophobicContact CB-CE2 3.7Å; L265-Y267 HydrophobicContact CD1-CE2 4.36Å
266	T	95.6	Very high	88.6	Confident	22 Å²	22	61.8 Å²	61.8	14%	0.135	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132.4	179.7	-59.7	0	0	0	0	110.8	V210 T250 F251 H252 F268 N447	V210-T266 HydrophobicContact CG1-CG2 4.31Å; T250-T266 HydrophobicContact CG2-CG2 3.57Å; F251-T266 WeakPolarHBondContact O-CA 2.98Å; H252-T266 PolarHBondContact ND1-OG1 3.19Å; T266-F268 HydrophobicContact CG2-CE2 4.39Å; T266-F268 HydrophobicContact CG2-CZ 4.13Å; T266-N447 PolarHBondContact N-OD1 3.41Å; T266-N447 VanDerWaalsContact N-OD1 3.12Å; T266-N447 PolarHBondContact O-ND2 3.43Å
267	Y	97	Very high	88.6	Confident	1 Å²	1	60.7 Å²	60.7	0%	0.004	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	154.4	179	-62.8	-79.8	0	0	0	111.5	K208 D209 A215 L217 F224 V226 H234 T250 F251 I253 L265	K208-Y267 CarbonylContact O-C 3.6Å; K208-Y267 WeakPolarHBondContact O-CA 3.42Å; D209-Y267 HydrophobicContact CB-CD1 4.25Å; D209-Y267 HydrophobicContact CB-CE1 4.12Å; A215-Y267 HydrophobicContact CB-CD1 4.31Å; A215-Y267 HydrophobicContact CB-CE1 4.24Å; L217-Y267 HydrophobicContact CD1-CD1 3.93Å; L217-Y267 HydrophobicContact CD1-CD2 4.36Å; L217-Y267 HydrophobicContact CD1-CE1 4.35Å; L217-Y267 HydrophobicContact CD1-CG 3.96Å; L217-Y267 HydrophobicContact CD2-CD2 3.7Å; L217-Y267 HydrophobicContact CD2-CE2 4.37Å; L217-Y267 HydrophobicContact CD2-CG 3.84Å; L217-Y267 HydrophobicContact CG-CD2 4.32Å; L217-Y267 HydrophobicContact CG-CG 4.37Å; F224-Y267 HydrophobicContact CZ-CE2 4.41Å; V226-Y267 HydrophobicContact CG1-CE1 4.01Å; V226-Y267 HydrophobicContact CG2-CE2 4.1Å; H234-Y267 PolarHBondContact CD2-OH 3.45Å; T250-Y267 CarbonylContact C-O 3.59Å; T250-Y267 WeakPolarHBondContact CA-O 3.28Å; F251-Y267 PolarHBondContact N-O 2.84Å; F251-Y267 PolarHBondContact O-N 3.39Å; I253-Y267 HydrophobicContact CD1-CD2 4.36Å; I253-Y267 HydrophobicContact CD1-CE2 4.3Å; L265-Y267 HydrophobicContact CB-CD2 4.43Å; L265-Y267 HydrophobicContact CB-CE2 3.7Å; L265-Y267 HydrophobicContact CD1-CE2 4.36Å
268	F	96.7	Very high	89.3	Confident	81 Å²	81	57.1 Å²	57.1	36%	0.355	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	116.8	-177.7	-57.2	-83.2	0	0	0	110.8	C207 K208 V210 T250 T266	C207-F268 CarbonylContact C-O 3.52Å; C207-F268 VanDerWaalsContact CA-O 3.24Å; C207-F268 WeakPolarHBondContact CA-O 3.49Å; C207-F268 WeakPolarHBondContact CB-O 3.41Å; K208-F268 PolarHBondContact N-O 3.36Å; K208-F268 PolarHBondContact O-N 2.77Å; V210-F268 HydrophobicContact CG1-CE2 4.22Å; T250-F268 HydrophobicContact CG2-CD1 4.07Å; T250-F268 HydrophobicContact CG2-CE1 3.75Å; T250-F268 HydrophobicContact CG2-CZ 4.41Å; T250-F268 WeakPolarHBondContact OG1-CE1 3.48Å; T266-F268 HydrophobicContact CG2-CE2 4.39Å; T266-F268 HydrophobicContact CG2-CZ 4.13Å
269	A	95.4	Very high	90.6	Very high	7 Å²	7	50.4 Å²	50.4	6%	0.058	25%	0.249	C	C	.	.			trans	-80.1	158.6	174.5	0	0	0	0	0	111.5	K249 T271 A274 C275	K249-A269 PolarHBondContact O-N 2.96Å; A269-T271 PolarHBondContact O-N 3.33Å; A269-A274 HydrophobicContact CB-CB 4.32Å; A269-C275 HydrophobicContact CB-CB 3.68Å
270	P	93.1	Very high	91.7	Very high	72 Å²	72	45.1 Å²	45.1	47%	0.468	22%	0.224	S	C	.	.	S	Bend	trans	-61.8	-41.4	179.6	-24.3	33.5	0	0	0	113.2	P206 K249	P206-P270 WeakPolarHBondContact O-CD 3.42Å; K249-P270 WeakPolarHBondContact CE-O 3.43Å; K249-P270 PolarHBondContact NZ-O 3.46Å
271	T	92.5	Very high	92.9	Very high	52 Å²	52	38.5 Å²	38.5	32%	0.319	19%	0.189	S	C	.	.	S	Bend	trans	-133.8	156.9	-177.4	65.7	0	0	0	0	111.4	A269 E273 A274 C275	A269-T271 PolarHBondContact O-N 3.33Å; T271-E273 PolarHBondContact O-N 3.49Å; T271-A274 PolarHBondContact O-N 3.29Å; T271-A274 VanDerWaalsContact OG1-CB 3.28Å; T271-A274 WeakPolarHBondContact OG1-CB 3.44Å; T271-A274 PolarHBondContact OG1-N 2.9Å; T271-A274 VanDerWaalsContact OG1-N 3.09Å; T271-C275 PolarHBondContact O-N 3.32Å
272	P	91.4	Very high	93.6	Very high	51 Å²	51	31.9 Å²	31.9	33%	0.331	16%	0.164	S	C	.	.	H	α-helix	trans	-61.1	-33.3	174.3	-22.3	35.2	0	0	0	112.8	A248 K249 C275 K276	A248-P272 WeakPolarHBondContact O-CA 3.44Å; K249-P272 HydrophobicContact CG-CG 3.99Å; P272-C275 PolarHBondContact O-N 3.28Å; P272-K276 WeakPolarHBondContact O-CB 3.39Å; P272-K276 PolarHBondContact O-N 2.96Å
273	E	89.8	Confident	93.8	Very high	97 Å²	97	26.8 Å²	26.8	45%	0.453	14%	0.142	S	C	.	.	H	α-helix	trans	-65.4	-43.9	176.6	-66.7	66.8	-146.2	0	0	111.1	T271 K276 H277	T271-E273 PolarHBondContact O-N 3.49Å; E273-K276 PolarHBondContact O-N 2.87Å; E273-H277 WeakPolarHBondContact O-CB 3.48Å; E273-H277 PolarHBondContact O-N 3.07Å
274	A	92.3	Very high	94	Very high	9 Å²	9	27.3 Å²	27.3	7%	0.074	14%	0.144	C	C	.	.	H	α-helix	trans	-62.3	-43.3	174.4	0	0	0	0	0	111.4	Q63 A269 T271 H277 L278	Q63-A274 VanDerWaalsContact OE1-CB 3.3Å; A269-A274 HydrophobicContact CB-CB 4.32Å; T271-A274 PolarHBondContact O-N 3.29Å; T271-A274 VanDerWaalsContact OG1-CB 3.28Å; T271-A274 WeakPolarHBondContact OG1-CB 3.44Å; T271-A274 PolarHBondContact OG1-N 2.9Å; T271-A274 VanDerWaalsContact OG1-N 3.09Å; A274-H277 PolarHBondContact O-N 3.13Å; A274-L278 WeakPolarHBondContact O-CB 3.3Å; A274-L278 PolarHBondContact O-N 2.82Å
275	C	94.3	Very high	94.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.6	-45.2	177.4	-158.5	0	0	0	0	111.9	F246 A248 K249 T250 A269 T271 P272 H277 L278 W279	F246-C275 HydrophobicContact CD2-CB 4.36Å; A248-C275 WeakPolarHBondContact O-CB 3.38Å; K249-C275 PolarHBondContact O-SG 3.38Å; K249-C275 VanDerWaalsContact O-SG 3.35Å; T250-C275 VanDerWaalsContact C-SG 3.6Å; A269-C275 HydrophobicContact CB-CB 3.68Å; T271-C275 PolarHBondContact O-N 3.32Å; P272-C275 PolarHBondContact O-N 3.28Å; C275-H277 VanDerWaalsContact C-N 3.33Å; C275-H277 PolarHBondContact O-N 3.04Å; C275-L278 WeakPolarHBondContact O-CB 3.39Å; C275-L278 PolarHBondContact O-N 3.48Å; C275-W279 WeakPolarHBondContact O-CB 3.45Å; C275-W279 PolarHBondContact O-N 2.96Å
276	K	92.6	Very high	94.1	Very high	81 Å²	81	28.8 Å²	28.8	35%	0.352	15%	0.151	S	C	.	.	H	α-helix	trans	-62.2	-40.6	175.7	-178.7	174.7	-177.7	169.8	0	111.9	F246 P272 E273 K280 S310	F246-K276 HydrophobicContact CE1-CB 4.4Å; F246-K276 HydrophobicContact CE1-CG 4.23Å; F246-K276 HydrophobicContact CE2-CB 3.82Å; F246-K276 HydrophobicContact CE2-CG 4.31Å; F246-K276 HydrophobicContact CZ-CB 3.75Å; F246-K276 HydrophobicContact CZ-CD 4.2Å; F246-K276 HydrophobicContact CZ-CG 3.72Å; P272-K276 WeakPolarHBondContact O-CB 3.39Å; P272-K276 PolarHBondContact O-N 2.96Å; E273-K276 PolarHBondContact O-N 2.87Å; K276-K280 WeakPolarHBondContact O-CG 3.49Å; K276-K280 PolarHBondContact O-N 3.2Å; K276-S310 WeakPolarHBondContact CE-OG 3.25Å; K276-S310 PolarHBondContact NZ-OG 3.08Å
277	H	92.5	Very high	94	Very high	14 Å²	14	28 Å²	28	7%	0.065	15%	0.147	C	C	.	.	H	α-helix	trans	-64.2	-48.5	175.7	176.8	63.7	0	0	0	111.3	R64 W66 H205 E273 A274 C275 W279 K280 C281	R64-H277 PolarHBondContact O-CD2 3.41Å; R64-H277 VanDerWaalsContact O-CD2 3.32Å; R64-H277 PolarHBondContact O-NE2 3.28Å; W66-H277 AromaticContact CD1-CE1 3.62Å; H205-H277 AromaticContact CE1-CD2 3.58Å; H205-H277 AromaticContact CE1-NE2 3.67Å; E273-H277 WeakPolarHBondContact O-CB 3.48Å; E273-H277 PolarHBondContact O-N 3.07Å; A274-H277 PolarHBondContact O-N 3.13Å; C275-H277 VanDerWaalsContact C-N 3.33Å; C275-H277 PolarHBondContact O-N 3.04Å; H277-W279 VanDerWaalsContact C-N 3.33Å; H277-W279 PolarHBondContact O-N 3.49Å; H277-K280 PolarHBondContact O-N 3.4Å; H277-C281 VanDerWaalsContact CE1-SG 3.51Å; H277-C281 PolarHBondContact O-N 3.1Å; H277-C281 PolarHBondContact O-SG 2.91Å; H277-C281 VanDerWaalsContact O-SG 3.36Å
278	L	95.3	Very high	93.9	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-53.7	-48.2	173.9	171.6	70.6	0	0	0	111.5	H205 L217 F219 F251 A274 C275 C281 G282	H205-L278 HydrophobicContact CB-CD1 3.68Å; L217-L278 HydrophobicContact CB-CD1 4.13Å; L217-L278 HydrophobicContact CD2-CD1 4.48Å; L217-L278 HydrophobicContact CD2-CD2 3.87Å; F219-L278 HydrophobicContact CE2-CD1 3.55Å; F219-L278 HydrophobicContact CE2-CG 4.43Å; F219-L278 VanDerWaalsContact CE2-O 3.3Å; F219-L278 WeakPolarHBondContact CE2-O 3.42Å; F219-L278 HydrophobicContact CZ-CD1 3.72Å; F219-L278 HydrophobicContact CZ-CG 4.35Å; F219-L278 WeakPolarHBondContact CZ-O 3.19Å; F251-L278 HydrophobicContact CB-CD2 3.97Å; F251-L278 HydrophobicContact CD1-CD2 3.61Å; F251-L278 HydrophobicContact CD1-CG 4.26Å; F251-L278 HydrophobicContact CD2-CD2 4.09Å; F251-L278 HydrophobicContact CD2-CG 4.36Å; F251-L278 HydrophobicContact CE1-CD2 4.02Å; F251-L278 HydrophobicContact CE1-CG 4.19Å; F251-L278 HydrophobicContact CE2-CD2 4.5Å; F251-L278 HydrophobicContact CE2-CG 4.35Å; F251-L278 HydrophobicContact CG-CD2 3.62Å; F251-L278 HydrophobicContact CG-CG 4.33Å; F251-L278 HydrophobicContact CZ-CD2 4.46Å; F251-L278 HydrophobicContact CZ-CG 4.25Å; A274-L278 WeakPolarHBondContact O-CB 3.3Å; A274-L278 PolarHBondContact O-N 2.82Å; C275-L278 WeakPolarHBondContact O-CB 3.39Å; C275-L278 PolarHBondContact O-N 3.48Å; L278-C281 PolarHBondContact O-N 3.19Å; L278-G282 PolarHBondContact O-N 2.88Å
279	W	95.2	Very high	93.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.4	-43.6	178.1	171.5	81.4	0	0	0	112.9	L244 F246 F251 C275 H277 G282 V283 V300 S310 F312	L244-W279 PolarHBondContact O-NE1 3.37Å; F246-W279 HydrophobicContact CB-CB 4.06Å; F246-W279 HydrophobicContact CB-CG 4.34Å; F246-W279 HydrophobicContact CD1-CB 3.56Å; F246-W279 AromaticContact CD1-CD1 3.93Å; F246-W279 AromaticContact CD1-CD2 3.47Å; F246-W279 HydrophobicContact CD1-CD2 3.47Å; F246-W279 VanDerWaalsContact CD1-CD2 3.47Å; F246-W279 AromaticContact CD1-CE3 3.79Å; F246-W279 HydrophobicContact CD1-CE3 3.79Å; F246-W279 AromaticContact CD1-CG 3.37Å; F246-W279 HydrophobicContact CD1-CG 3.37Å; F246-W279 HydrophobicContact CE1-CB 4.3Å; F246-W279 AromaticContact CE1-CD2 3.68Å; F246-W279 HydrophobicContact CE1-CD2 3.68Å; F246-W279 AromaticContact CE1-CE3 3.48Å; F246-W279 HydrophobicContact CE1-CE3 3.48Å; F246-W279 VanDerWaalsContact CE1-CE3 3.48Å; F246-W279 HydrophobicContact CE1-CG 4.06Å; F246-W279 AromaticContact CE1-CZ3 3.95Å; F246-W279 HydrophobicContact CE1-CZ3 3.95Å; F246-W279 HydrophobicContact CG-CB 4.04Å; F246-W279 HydrophobicContact CG-CG 4.23Å; F251-W279 HydrophobicContact CD2-CB 4.23Å; F251-W279 HydrophobicContact CE2-CB 3.85Å; F251-W279 HydrophobicContact CE2-CG 4.41Å; C275-W279 WeakPolarHBondContact O-CB 3.45Å; C275-W279 PolarHBondContact O-N 2.96Å; H277-W279 VanDerWaalsContact C-N 3.33Å; H277-W279 PolarHBondContact O-N 3.49Å; W279-G282 PolarHBondContact O-N 3.29Å; W279-V283 HydrophobicContact CD2-CG2 4.25Å; W279-V283 HydrophobicContact CZ2-CG2 4.17Å; W279-V283 WeakPolarHBondContact O-CG2 3.34Å; W279-V283 PolarHBondContact O-N 3.09Å; W279-V300 HydrophobicContact CZ2-CB 4.02Å; W279-V300 HydrophobicContact CZ2-CG1 3.79Å; W279-S310 WeakPolarHBondContact CH2-O 3.42Å; W279-F312 HydrophobicContact CE3-CB 4.5Å; W279-F312 HydrophobicContact CH2-CB 3.37Å; W279-F312 HydrophobicContact CZ2-CB 4.44Å; W279-F312 HydrophobicContact CZ3-CB 3.4Å; W279-F312 HydrophobicContact CZ3-CG 4.29Å
280	K	93.6	Very high	93.6	Very high	40 Å²	40	29.1 Å²	29.1	17%	0.174	15%	0.15	C	C	.	.	H	α-helix	trans	-58.6	-49.8	174.1	-77	-177.5	178.2	-178.8	0	110.8	E68 K276 H277 G282 V283 E284 F312	E68-K280 IonicContact OE1-NZ 3.83Å; E68-K280 PolarHBondContact OE1-NZ 3.14Å; K276-K280 WeakPolarHBondContact O-CG 3.49Å; K276-K280 PolarHBondContact O-N 3.2Å; H277-K280 PolarHBondContact O-N 3.4Å; K280-G282 VanDerWaalsContact C-N 3.26Å; K280-G282 PolarHBondContact O-N 3.12Å; K280-V283 PolarHBondContact O-N 3.2Å; K280-E284 VanDerWaalsContact O-CG 3.28Å; K280-E284 WeakPolarHBondContact O-CG 3.34Å; K280-E284 PolarHBondContact O-N 3.36Å; K280-F312 HydrophobicContact CD-CD2 4.16Å; K280-F312 HydrophobicContact CD-CE2 4.22Å; K280-F312 HydrophobicContact CG-CD1 4.36Å; K280-F312 HydrophobicContact CG-CD2 4.06Å; K280-F312 HydrophobicContact CG-CE2 4.32Å; K280-F312 HydrophobicContact CG-CG 4.08Å
281	C	95.1	Very high	93.4	Very high	4 Å²	4	27.6 Å²	27.6	3%	0.027	14%	0.138	C	C	.	.	H	α-helix	trans	-55	-44	177	-69.6	0	0	0	0	111.4	F219 H277 L278 E284 N285	F219-C281 HydrophobicContact CD2-CB 3.89Å; F219-C281 HydrophobicContact CE2-CB 3.79Å; H277-C281 VanDerWaalsContact CE1-SG 3.51Å; H277-C281 PolarHBondContact O-N 3.1Å; H277-C281 PolarHBondContact O-SG 2.91Å; H277-C281 VanDerWaalsContact O-SG 3.36Å; L278-C281 PolarHBondContact O-N 3.19Å; C281-E284 PolarHBondContact O-N 3.34Å; C281-N285 WeakPolarHBondContact O-CB 3.29Å; C281-N285 PolarHBondContact O-N 3.42Å; C281-N285 PolarHBondContact O-ND2 2.9Å
282	G	95.1	Very high	93.2	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.2	-44	178.1	0	0	0	0	0	113.3	F219 L278 W279 K280 N285 Q286	F219-G282 VanDerWaalsContact CE2-N 3.29Å; L278-G282 PolarHBondContact O-N 2.88Å; W279-G282 PolarHBondContact O-N 3.29Å; K280-G282 VanDerWaalsContact C-N 3.26Å; K280-G282 PolarHBondContact O-N 3.12Å; G282-N285 PolarHBondContact O-N 3.45Å; G282-Q286 VanDerWaalsContact O-CB 3.25Å; G282-Q286 WeakPolarHBondContact O-CB 3.37Å; G282-Q286 PolarHBondContact O-N 3.35Å
283	V	93.9	Very high	92.9	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.03	16%	0.155	C	C	.	.	H	α-helix	trans	-64.1	-41.3	176.5	171.4	0	0	0	0	111.4	W279 K280 A287 V300 F312	W279-V283 HydrophobicContact CD2-CG2 4.25Å; W279-V283 HydrophobicContact CZ2-CG2 4.17Å; W279-V283 WeakPolarHBondContact O-CG2 3.34Å; W279-V283 PolarHBondContact O-N 3.09Å; K280-V283 PolarHBondContact O-N 3.2Å; V283-A287 VanDerWaalsContact O-CB 3.28Å; V283-A287 WeakPolarHBondContact O-CB 3.45Å; V283-A287 PolarHBondContact O-N 3.2Å; V283-V300 HydrophobicContact CG1-CB 4.15Å; V283-V300 HydrophobicContact CG1-CG2 3.62Å; V283-V300 HydrophobicContact CG2-CB 4.14Å; V283-V300 HydrophobicContact CG2-CG1 4.06Å; V283-V300 HydrophobicContact CG2-CG2 4.18Å; V283-F312 HydrophobicContact CB-CD1 4.19Å; V283-F312 HydrophobicContact CG1-CD1 3.81Å; V283-F312 HydrophobicContact CG1-CE1 4.22Å
284	E	94.6	Very high	92.8	Very high	24 Å²	24	30.8 Å²	30.8	11%	0.112	15%	0.147	C	C	.	.	H	α-helix	trans	-65.1	-47	177.3	-67.7	-174.9	130.3	0	0	111.9	K90 F91 K280 C281 A287 F288 F312 Y314	K90-E284 WeakPolarHBondContact CE-OE2 3.04Å; K90-E284 IonicContact NZ-OE1 3.75Å; K90-E284 PolarHBondContact NZ-OE1 3.28Å; K90-E284 IonicContact NZ-OE2 3.31Å; K90-E284 PolarHBondContact NZ-OE2 3.06Å; F91-E284 HydrophobicContact CE1-CB 4.24Å; F91-E284 HydrophobicContact CZ-CB 4.13Å; K280-E284 VanDerWaalsContact O-CG 3.28Å; K280-E284 WeakPolarHBondContact O-CG 3.34Å; K280-E284 PolarHBondContact O-N 3.36Å; C281-E284 PolarHBondContact O-N 3.34Å; E284-A287 PolarHBondContact O-N 2.78Å; E284-F288 WeakPolarHBondContact O-CB 3.23Å; E284-F288 PolarHBondContact O-N 3.3Å; E284-F312 HydrophobicContact CG-CE1 3.44Å; E284-F312 VanDerWaalsContact CG-CE1 3.44Å; E284-F312 HydrophobicContact CG-CZ 3.64Å; E284-F312 WeakPolarHBondContact OE1-CZ 3.43Å; E284-Y314 HydrophobicContact CB-CD2 4.1Å; E284-Y314 HydrophobicContact CG-CD2 3.9Å
285	N	95.7	Very high	92.4	Very high	14 Å²	14	34.9 Å²	34.9	8%	0.075	18%	0.176	C	C	.	.	H	α-helix	trans	-66.8	-41.6	179.2	-79.9	-88.7	0	0	0	111.7	F219 W238 C281 G282 A287 F288 Y289	F219-N285 HydrophobicContact CB-CB 3.86Å; F219-N285 HydrophobicContact CG-CB 4.42Å; W238-N285 HydrophobicContact CH2-CB 3.59Å; W238-N285 HydrophobicContact CZ2-CB 3.62Å; C281-N285 WeakPolarHBondContact O-CB 3.29Å; C281-N285 PolarHBondContact O-N 3.42Å; C281-N285 PolarHBondContact O-ND2 2.9Å; G282-N285 PolarHBondContact O-N 3.45Å; N285-A287 VanDerWaalsContact C-N 3.33Å; N285-A287 PolarHBondContact O-N 2.94Å; N285-F288 PolarHBondContact O-N 2.99Å; N285-Y289 HydrophobicContact CB-CD2 4.27Å; N285-Y289 HydrophobicContact CB-CE2 4.23Å; N285-Y289 VanDerWaalsContact O-CD2 3.22Å; N285-Y289 WeakPolarHBondContact O-CD2 3.24Å; N285-Y289 PolarHBondContact O-N 3.39Å; N285-Y289 VanDerWaalsContact OD1-CE2 3.3Å; N285-Y289 WeakPolarHBondContact OD1-CE2 3.24Å
286	Q	93.6	Very high	91.9	Very high	29 Å²	29	38.9 Å²	38.9	14%	0.136	19%	0.194	C	C	.	.	H	α-helix	trans	-60.1	-45.7	174	-170.6	-177.8	35.3	0	0	110.6	W238 V241 G282 F288 K290	W238-Q286 HydrophobicContact CE3-CB 3.92Å; W238-Q286 HydrophobicContact CE3-CG 4.03Å; W238-Q286 HydrophobicContact CZ3-CB 3.7Å; W238-Q286 HydrophobicContact CZ3-CG 4.26Å; V241-Q286 PolarHBondContact O-NE2 2.91Å; G282-Q286 VanDerWaalsContact O-CB 3.25Å; G282-Q286 WeakPolarHBondContact O-CB 3.37Å; G282-Q286 PolarHBondContact O-N 3.35Å; Q286-F288 PolarHBondContact O-N 2.92Å; Q286-K290 HydrophobicContact CG-CB 4.27Å; Q286-K290 HydrophobicContact CG-CD 3.99Å; Q286-K290 WeakPolarHBondContact O-CA 3.34Å; Q286-K290 WeakPolarHBondContact O-CB 3.33Å; Q286-K290 PolarHBondContact O-N 2.93Å
287	A	93.8	Very high	91.5	Very high	7 Å²	7	35.4 Å²	35.4	6%	0.058	18%	0.18	C	C	.	.	H	α-helix	trans	-62.9	-42.3	177.3	0	0	0	0	0	112.2	V283 E284 N285 L291 V297 Y314 V318	V283-A287 VanDerWaalsContact O-CB 3.28Å; V283-A287 WeakPolarHBondContact O-CB 3.45Å; V283-A287 PolarHBondContact O-N 3.2Å; E284-A287 PolarHBondContact O-N 2.78Å; N285-A287 VanDerWaalsContact C-N 3.33Å; N285-A287 PolarHBondContact O-N 2.94Å; A287-L291 HydrophobicContact CB-CD1 4.13Å; A287-L291 WeakPolarHBondContact O-CB 3.34Å; A287-V297 HydrophobicContact CB-CG2 4.31Å; A287-Y314 HydrophobicContact CB-CD1 3.66Å; A287-Y314 HydrophobicContact CB-CG 3.91Å; A287-V318 VanDerWaalsContact O-CG1 3.3Å; A287-V318 WeakPolarHBondContact O-CG1 3.34Å
288	F	94.8	Very high	91.1	Very high	1 Å²	1	44.9 Å²	44.9	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-68.4	-47.3	-176.9	-174.2	-94.9	0	0	0	112.9	Y52 F91 E284 N285 Q286 K317 A319 V322	Y52-F288 HydrophobicContact CD1-CE1 4.47Å; Y52-F288 AromaticContact CD1-CZ 3.98Å; Y52-F288 HydrophobicContact CD1-CZ 3.98Å; Y52-F288 HydrophobicContact CE1-CE1 4.3Å; Y52-F288 AromaticContact CE1-CZ 3.88Å; Y52-F288 HydrophobicContact CE1-CZ 3.88Å; F91-F288 HydrophobicContact CB-CD1 3.71Å; F91-F288 HydrophobicContact CB-CD2 4.49Å; F91-F288 HydrophobicContact CB-CE1 3.45Å; F91-F288 VanDerWaalsContact CB-CE1 3.45Å; F91-F288 HydrophobicContact CB-CE2 4.27Å; F91-F288 HydrophobicContact CB-CG 4.23Å; F91-F288 HydrophobicContact CB-CZ 3.76Å; F91-F288 HydrophobicContact CD1-CB 3.83Å; F91-F288 AromaticContact CD1-CD1 3.77Å; F91-F288 HydrophobicContact CD1-CD1 3.77Å; F91-F288 HydrophobicContact CD1-CD2 4.26Å; F91-F288 HydrophobicContact CD1-CE1 4.4Å; F91-F288 AromaticContact CD1-CG 3.69Å; F91-F288 HydrophobicContact CD1-CG 3.69Å; F91-F288 HydrophobicContact CD2-CD1 4.36Å; F91-F288 AromaticContact CD2-CD2 3.75Å; F91-F288 HydrophobicContact CD2-CD2 3.75Å; F91-F288 HydrophobicContact CD2-CE1 4.44Å; F91-F288 AromaticContact CD2-CE2 3.83Å; F91-F288 HydrophobicContact CD2-CE2 3.83Å; F91-F288 HydrophobicContact CD2-CG 4.03Å; F91-F288 HydrophobicContact CD2-CZ 4.19Å; F91-F288 HydrophobicContact CE1-CB 3.69Å; F91-F288 HydrophobicContact CE1-CD1 4.48Å; F91-F288 HydrophobicContact CE1-CD2 4.43Å; F91-F288 AromaticContact CE1-CG 3.97Å; F91-F288 HydrophobicContact CE1-CG 3.97Å; F91-F288 AromaticContact CE2-CD2 3.92Å; F91-F288 HydrophobicContact CE2-CD2 3.92Å; F91-F288 HydrophobicContact CE2-CE2 4.36Å; F91-F288 HydrophobicContact CE2-CG 4.27Å; F91-F288 HydrophobicContact CG-CB 4.35Å; F91-F288 AromaticContact CG-CD1 3.69Å; F91-F288 HydrophobicContact CG-CD1 3.69Å; F91-F288 AromaticContact CG-CD2 3.92Å; F91-F288 HydrophobicContact CG-CD2 3.92Å; F91-F288 AromaticContact CG-CE1 3.88Å; F91-F288 HydrophobicContact CG-CE1 3.88Å; F91-F288 HydrophobicContact CG-CE2 4.08Å; F91-F288 AromaticContact CG-CG 3.72Å; F91-F288 HydrophobicContact CG-CG 3.72Å; F91-F288 HydrophobicContact CG-CZ 4.07Å; F91-F288 HydrophobicContact CZ-CB 4.07Å; F91-F288 HydrophobicContact CZ-CD2 4.26Å; F91-F288 HydrophobicContact CZ-CG 4.24Å; E284-F288 WeakPolarHBondContact O-CB 3.23Å; E284-F288 PolarHBondContact O-N 3.3Å; N285-F288 PolarHBondContact O-N 2.99Å; Q286-F288 PolarHBondContact O-N 2.92Å; F288-K317 WeakPolarHBondContact CD2-O 3.37Å; F288-A319 HydrophobicContact CD1-CB 3.9Å; F288-A319 HydrophobicContact CE1-CB 3.59Å; F288-A319 HydrophobicContact CZ-CB 3.99Å; F288-A319 VanDerWaalsContact O-CB 3.25Å; F288-A319 WeakPolarHBondContact O-CB 3.38Å; F288-A319 PolarHBondContact O-N 3.49Å; F288-V322 HydrophobicContact CE2-CG2 4.13Å
289	Y	94.6	Very high	90.5	Very high	34 Å²	34	48.1 Å²	48.1	13%	0.133	24%	0.235	C	C	.	.	H	α-helix	trans	-92.3	-31.2	-175	-59.3	-66.8	0	0	0	114.4	F91 Y92 P94 P221 W238 N285 A319	F91-Y289 VanDerWaalsContact C-OH 3.31Å; F91-Y289 VanDerWaalsContact CA-OH 3.23Å; F91-Y289 WeakPolarHBondContact CA-OH 3.28Å; F91-Y289 WeakPolarHBondContact CB-OH 3.26Å; F91-Y289 HydrophobicContact CD1-CE2 4.32Å; Y92-Y289 PolarHBondContact N-OH 2.93Å; Y92-Y289 WeakPolarHBondContact O-CE1 3.4Å; Y92-Y289 PolarHBondContact O-OH 3.26Å; P94-Y289 HydrophobicContact CG-CD1 4.39Å; P94-Y289 HydrophobicContact CG-CE1 4.38Å; P221-Y289 HydrophobicContact CB-CD1 4.36Å; P221-Y289 HydrophobicContact CB-CE1 3.82Å; P221-Y289 HydrophobicContact CG-CE1 4.36Å; W238-Y289 AromaticContact CE2-CD2 3.95Å; W238-Y289 HydrophobicContact CZ2-CD2 4.13Å; W238-Y289 AromaticContact NE1-CD2 3.51Å; W238-Y289 AromaticContact NE1-CG 3.88Å; N285-Y289 HydrophobicContact CB-CD2 4.27Å; N285-Y289 HydrophobicContact CB-CE2 4.23Å; N285-Y289 VanDerWaalsContact O-CD2 3.22Å; N285-Y289 WeakPolarHBondContact O-CD2 3.24Å; N285-Y289 PolarHBondContact O-N 3.39Å; N285-Y289 VanDerWaalsContact OD1-CE2 3.3Å; N285-Y289 WeakPolarHBondContact OD1-CE2 3.24Å; Y289-A319 HydrophobicContact CD1-CB 4.41Å
290	K	92	Very high	89.9	Confident	76 Å²	76	49.9 Å²	49.9	33%	0.33	25%	0.246	S	C	.	.	H	α-helix	trans	-84.4	-37.2	-175	-167.3	179.9	-179.8	144.8	0	113.2	W238 E239 V241 Q286	W238-K290 HydrophobicContact CB-CB 4.21Å; W238-K290 HydrophobicContact CB-CG 4.42Å; W238-K290 VanDerWaalsContact O-CD 3.29Å; W238-K290 WeakPolarHBondContact O-CD 3.18Å; W238-K290 WeakPolarHBondContact O-CE 3.4Å; W238-K290 PolarHBondContact O-NZ 2.83Å; E239-K290 PolarHBondContact O-NZ 2.91Å; V241-K290 PolarHBondContact O-NZ 2.74Å; Q286-K290 HydrophobicContact CG-CB 4.27Å; Q286-K290 HydrophobicContact CG-CD 3.99Å; Q286-K290 WeakPolarHBondContact O-CA 3.34Å; Q286-K290 WeakPolarHBondContact O-CB 3.33Å; Q286-K290 PolarHBondContact O-N 2.93Å
291	L	89.6	Confident	89.3	Confident	41 Å²	41	49.9 Å²	49.9	22%	0.215	25%	0.251	C	S	.	.			trans	-85.2	147.6	-171.2	-59.9	177.5	0	0	0	111.5	A287 Q296 V297 V318	A287-L291 HydrophobicContact CB-CD1 4.13Å; A287-L291 WeakPolarHBondContact O-CB 3.34Å; L291-Q296 HydrophobicContact CD1-CB 4.37Å; L291-Q296 HydrophobicContact CD2-CB 4.2Å; L291-V297 HydrophobicContact CD1-CB 4.22Å; L291-V297 HydrophobicContact CD1-CG2 3.54Å; L291-V318 HydrophobicContact CB-CG1 4.09Å
292	E	87.1	Confident	88.3	Confident	102 Å²	102	50 Å²	50	48%	0.477	25%	0.251	S	S	.	.	S	Bend	trans	-86.3	-32.1	179.2	-54.6	-161.8	130	0	0	112.4	V318 K320	E292-V318 WeakPolarHBondContact O-CG2 3.29Å; E292-K320 HydrophobicContact CB-CD 4.23Å; E292-K320 HydrophobicContact CG-CD 4.31Å; E292-K320 IonicContact OE1-NZ 3.74Å; E292-K320 PolarHBondContact OE1-NZ 3.13Å
293	K	86.3	Confident	87	Confident	121 Å²	121	51.2 Å²	51.2	53%	0.526	26%	0.26	S	S	.	.			trans	-135.5	143.6	-179.2	-62.1	-176.5	-179.1	179.5	0	111	S295 Q296 E321	K293-S295 PolarHBondContact O-N 3.43Å; K293-Q296 HydrophobicContact CB-CG 4.38Å; K293-Q296 WeakPolarHBondContact O-CB 3.24Å; K293-Q296 PolarHBondContact O-N 2.92Å; K293-E321 VanDerWaalsContact CA-OE1 3.32Å; K293-E321 WeakPolarHBondContact CA-OE1 3.2Å
294	S	86	Confident	85.3	Confident	43 Å²	43	55 Å²	55	30%	0.301	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-61.6	-24.4	174.7	53.1	0	0	0	0	112.6	Q296 V297 E321	S294-Q296 PolarHBondContact O-N 2.81Å; S294-V297 VanDerWaalsContact O-CB 3.24Å; S294-V297 WeakPolarHBondContact O-CB 3.48Å; S294-V297 VanDerWaalsContact O-CG2 3.22Å; S294-V297 WeakPolarHBondContact O-CG2 3.35Å; S294-V297 PolarHBondContact O-N 3.38Å; S294-V297 VanDerWaalsContact O-N 3.12Å; S294-E321 WeakPolarHBondContact CB-OE2 3.42Å; S294-E321 VanDerWaalsContact N-CD 3.35Å; S294-E321 PolarHBondContact N-OE1 3.02Å; S294-E321 PolarHBondContact N-OE2 3.18Å; S294-E321 PolarHBondContact OG-OE1 2.8Å; S294-E321 PolarHBondContact OG-OE2 2.86Å
295	S	83.8	Confident	83.3	Confident	96 Å²	96	58.4 Å²	58.4	67%	0.671	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-64.5	-23.8	173	62.4	0	0	0	0	113.8	K293 V297	K293-S295 PolarHBondContact O-N 3.43Å; S295-V297 VanDerWaalsContact C-N 3.26Å; S295-V297 PolarHBondContact O-N 3.16Å
296	Q	84.4	Confident	80.9	Confident	83 Å²	83	65.9 Å²	65.9	39%	0.388	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-77.6	-12.5	176.1	-62.4	171.8	-27	0	0	112.4	L291 K293 S294 R298	L291-Q296 HydrophobicContact CD1-CB 4.37Å; L291-Q296 HydrophobicContact CD2-CB 4.2Å; K293-Q296 HydrophobicContact CB-CG 4.38Å; K293-Q296 WeakPolarHBondContact O-CB 3.24Å; K293-Q296 PolarHBondContact O-N 2.92Å; S294-Q296 PolarHBondContact O-N 2.81Å; Q296-R298 PolarHBondContact O-N 2.73Å; Q296-R298 VanDerWaalsContact O-N 3.1Å
297	V	84.3	Confident	78.8	Confident	8 Å²	8	74.4 Å²	74.4	5%	0.048	37%	0.368	C	S	.	.			trans	-67.4	110.4	-178.1	-179.7	0	0	0	0	110.2	A287 L291 S294 S295 R313 Y314 V318	A287-V297 HydrophobicContact CB-CG2 4.31Å; L291-V297 HydrophobicContact CD1-CB 4.22Å; L291-V297 HydrophobicContact CD1-CG2 3.54Å; S294-V297 VanDerWaalsContact O-CB 3.24Å; S294-V297 WeakPolarHBondContact O-CB 3.48Å; S294-V297 VanDerWaalsContact O-CG2 3.22Å; S294-V297 WeakPolarHBondContact O-CG2 3.35Å; S294-V297 PolarHBondContact O-N 3.38Å; S294-V297 VanDerWaalsContact O-N 3.12Å; S295-V297 VanDerWaalsContact C-N 3.26Å; S295-V297 PolarHBondContact O-N 3.16Å; V297-R313 HydrophobicContact CG1-CG 4.15Å; V297-R313 PolarHBondContact O-NE 3.48Å; V297-R313 PolarHBondContact O-NH2 2.99Å; V297-Y314 HydrophobicContact CG1-CD1 4.46Å; V297-Y314 WeakPolarHBondContact CG1-O 3.38Å; V297-Y314 HydrophobicContact CG2-CD1 4.13Å; V297-V318 HydrophobicContact CG2-CG1 4.34Å
298	R	83.8	Confident	77.1	Confident	213 Å²	213	81.4 Å²	81.4	80%	0.804	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-92.5	156.6	175.6	-62.9	-177.5	-177.3	178.2	0.1	111.2	Q296 V300	Q296-R298 PolarHBondContact O-N 2.73Å; Q296-R298 VanDerWaalsContact O-N 3.1Å; R298-V300 PolarHBondContact O-N 3Å
299	T	82.6	Confident	75.4	Confident	69 Å²	69	83.3 Å²	83.3	42%	0.423	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-71.3	121.4	170.1	-58.6	0	0	0	0	108.9	R311	T299-R311 HydrophobicContact CG2-CB 4Å
300	V	83.1	Confident	74.5	Confident	37 Å²	37	83.1 Å²	83.1	22%	0.224	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	133.3	175.4	-169.3	0	0	0	0	108.8	W279 V283 R298 R311 F312	W279-V300 HydrophobicContact CZ2-CB 4.02Å; W279-V300 HydrophobicContact CZ2-CG1 3.79Å; V283-V300 HydrophobicContact CG1-CB 4.15Å; V283-V300 HydrophobicContact CG1-CG2 3.62Å; V283-V300 HydrophobicContact CG2-CB 4.14Å; V283-V300 HydrophobicContact CG2-CG1 4.06Å; V283-V300 HydrophobicContact CG2-CG2 4.18Å; R298-V300 PolarHBondContact O-N 3Å; V300-R311 WeakPolarHBondContact O-CA 3.35Å; V300-F312 PolarHBondContact N-O 3.18Å; V300-F312 PolarHBondContact O-N 3.14Å
301	S	80.4	Confident	74	Confident	40 Å²	40	88.5 Å²	88.5	28%	0.28	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	135.1	172.5	-171.9	0	0	0	0	109.4	S303	S301-S303 WeakPolarHBondContact CB-O 3.48Å; S301-S303 PolarHBondContact O-N 3.17Å; S301-S303 PolarHBondContact OG-N 2.79Å; S301-S303 PolarHBondContact OG-O 3.46Å
302	S	74	Confident	73.8	Confident	6 Å²	6	87.7 Å²	87.7	4%	0.042	43%	0.433	C	S	.	.	S	Bend	trans	-65.1	-22.2	174.6	70.8	0	0	0	0	112.8	F246 G309 S310	F246-S302 VanDerWaalsContact CD1-CB 3.42Å; S302-G309 WeakPolarHBondContact OG-CA 3.45Å; S302-S310 PolarHBondContact N-O 3.18Å; S302-S310 PolarHBondContact OG-N 2.98Å; S302-S310 PolarHBondContact OG-O 3.42Å
303	S	68.5	Low	73.8	Confident	27 Å²	27	89.8 Å²	89.8	19%	0.189	44%	0.437	C	S	.	.	S	Bend	trans	-141	150.1	-172.6	-50	0	0	0	0	110.6	S301 L305 K308	S301-S303 WeakPolarHBondContact CB-O 3.48Å; S301-S303 PolarHBondContact O-N 3.17Å; S301-S303 PolarHBondContact OG-N 2.79Å; S301-S303 PolarHBondContact OG-O 3.46Å; S303-L305 VanDerWaalsContact C-N 3.29Å; S303-L305 PolarHBondContact O-N 3.18Å; S303-K308 WeakPolarHBondContact CB-O 3.34Å; S303-K308 PolarHBondContact OG-O 3.11Å
304	N	58.3	Low	73.9	Confident	85 Å²	85	84.7 Å²	84.7	46%	0.455	42%	0.415	S	S	.	.	S	Bend	trans	-82.3	-3.4	178.8	-61.7	-20.4	0	0	0	113	K243 E460	K243-N304 PolarHBondContact NZ-OD1 3.03Å; N304-E460 PolarHBondContact ND2-OE1 2.9Å; N304-E460 PolarHBondContact ND2-OE2 3.27Å
305	L	53.1	Low	73.7	Confident	94 Å²	94	87.3 Å²	87.3	49%	0.492	43%	0.433	S	S	.	.	S	Bend	trans	-87.8	127.3	179.4	-65.9	169.4	0	0	0	111.1	S303 F307 K308 L464	S303-L305 VanDerWaalsContact C-N 3.29Å; S303-L305 PolarHBondContact O-N 3.18Å; L305-F307 PolarHBondContact O-N 2.92Å; L305-K308 HydrophobicContact CB-CB 4.46Å; L305-K308 PolarHBondContact O-N 3.04Å; L305-L464 HydrophobicContact CD1-CD1 3.83Å; L305-L464 HydrophobicContact CD2-CD1 4.37Å
306	F	44.1	Very low	73.8	Confident	171 Å²	171	84.3 Å²	84.3	75%	0.75	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-4.3	-168.1	-88.5	-92.3	0	0	0	117.2
307	F	51.4	Low	74.1	Confident	209 Å²	209	83.1 Å²	83.1	92%	0.917	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.3	3.3	179.3	-62	-79.1	0	0	0	114.9	L305	L305-F307 PolarHBondContact O-N 2.92Å
308	K	56	Low	74.6	Confident	154 Å²	154	82.8 Å²	82.8	67%	0.67	41%	0.408	S	S	*	.	S	Bend	trans	-132.2	80.1	-174.3	-158.8	176.8	-177.2	-174.7	0	109	S303 L305	S303-K308 WeakPolarHBondContact CB-O 3.34Å; S303-K308 PolarHBondContact OG-O 3.11Å; L305-K308 HydrophobicContact CB-CB 4.46Å; L305-K308 PolarHBondContact O-N 3.04Å
309	G	60.7	Low	74.9	Confident	41 Å²	41	73.2 Å²	73.2	42%	0.423	38%	0.375	S	S	.	.	S	Bend	trans	179.7	151.4	-179.8	0	0	0	0	0	112.5	S302	S302-G309 WeakPolarHBondContact OG-CA 3.45Å
310	S	74.4	Confident	75.2	Confident	30 Å²	30	74.5 Å²	74.5	21%	0.21	38%	0.375	C	S	.	.			trans	-78.1	128.3	168.4	-71.1	0	0	0	0	109.2	K276 W279 S302	K276-S310 WeakPolarHBondContact CE-OG 3.25Å; K276-S310 PolarHBondContact NZ-OG 3.08Å; W279-S310 WeakPolarHBondContact CH2-O 3.42Å; S302-S310 PolarHBondContact N-O 3.18Å; S302-S310 PolarHBondContact OG-N 2.98Å; S302-S310 PolarHBondContact OG-O 3.42Å
311	R	82.6	Confident	75.6	Confident	189 Å²	189	74.7 Å²	74.7	71%	0.713	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	136.8	170.9	-61.8	176.4	82.6	162.8	4.3	108.8	T299 V300	T299-R311 HydrophobicContact CG2-CB 4Å; V300-R311 WeakPolarHBondContact O-CA 3.35Å
312	F	86	Confident	76.1	Confident	23 Å²	23	72.9 Å²	72.9	10%	0.101	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	139.6	177.9	-177.3	-103.4	0	0	0	109.8	W279 K280 V283 E284 V300	W279-F312 HydrophobicContact CE3-CB 4.5Å; W279-F312 HydrophobicContact CH2-CB 3.37Å; W279-F312 HydrophobicContact CZ2-CB 4.44Å; W279-F312 HydrophobicContact CZ3-CB 3.4Å; W279-F312 HydrophobicContact CZ3-CG 4.29Å; K280-F312 HydrophobicContact CD-CD2 4.16Å; K280-F312 HydrophobicContact CD-CE2 4.22Å; K280-F312 HydrophobicContact CG-CD1 4.36Å; K280-F312 HydrophobicContact CG-CD2 4.06Å; K280-F312 HydrophobicContact CG-CE2 4.32Å; K280-F312 HydrophobicContact CG-CG 4.08Å; V283-F312 HydrophobicContact CB-CD1 4.19Å; V283-F312 HydrophobicContact CG1-CD1 3.81Å; V283-F312 HydrophobicContact CG1-CE1 4.22Å; E284-F312 HydrophobicContact CG-CE1 3.44Å; E284-F312 VanDerWaalsContact CG-CE1 3.44Å; E284-F312 HydrophobicContact CG-CZ 3.64Å; E284-F312 WeakPolarHBondContact OE1-CZ 3.43Å; V300-F312 PolarHBondContact N-O 3.18Å; V300-F312 PolarHBondContact O-N 3.14Å
313	R	87	Confident	76.9	Confident	146 Å²	146	77.2 Å²	77.2	55%	0.551	38%	0.381	S	S	*	.			trans	-130.7	123.6	175.6	-173	-178.4	-176.9	-179.1	-0.5	106.8	V297 S315	V297-R313 HydrophobicContact CG1-CG 4.15Å; V297-R313 PolarHBondContact O-NE 3.48Å; V297-R313 PolarHBondContact O-NH2 2.99Å; R313-S315 PolarHBondContact O-N 3.47Å
314	Y	87.8	Confident	77.9	Confident	15 Å²	15	81.5 Å²	81.5	6%	0.059	40%	0.398	C	S	.	.			trans	-61.5	134.2	170.9	173.2	-113.9	0	0	0	109.1	F91 E284 A287 V297 G316 K317	F91-Y314 HydrophobicContact CE2-CE2 4.23Å; F91-Y314 AromaticContact CZ-CE2 3.91Å; F91-Y314 HydrophobicContact CZ-CE2 3.91Å; E284-Y314 HydrophobicContact CB-CD2 4.1Å; E284-Y314 HydrophobicContact CG-CD2 3.9Å; A287-Y314 HydrophobicContact CB-CD1 3.66Å; A287-Y314 HydrophobicContact CB-CG 3.91Å; V297-Y314 HydrophobicContact CG1-CD1 4.46Å; V297-Y314 WeakPolarHBondContact CG1-O 3.38Å; V297-Y314 HydrophobicContact CG2-CD1 4.13Å; Y314-G316 WeakPolarHBondContact CE1-O 3.47Å; Y314-K317 WeakPolarHBondContact CE1-O 3.1Å; Y314-K317 PolarHBondContact OH-O 2.71Å
315	S	81.3	Confident	79.4	Confident	97 Å²	97	82.2 Å²	82.2	68%	0.678	40%	0.399	S	S	*	.			trans	-128.2	90.1	-177.3	177.5	0	0	0	0	107.5	R313	R313-S315 PolarHBondContact O-N 3.47Å
316	G	86.8	Confident	81.1	Confident	33 Å²	33	78.2 Å²	78.2	34%	0.34	38%	0.378	S	S	.	.	S	Bend	trans	176.9	175.4	-178.2	0	0	0	0	0	110.3	Y314	Y314-G316 WeakPolarHBondContact CE1-O 3.47Å
317	K	90.5	Very high	83.3	Confident	59 Å²	59	73.7 Å²	73.7	26%	0.257	37%	0.373	S	S	.	.			trans	-75.9	155.2	172.8	-63.1	-176.5	-146.2	120.7	0	110.4	D51 F288 Y314 E321 V322	D51-K317 IonicContact OD1-NZ 3.32Å; D51-K317 IonicContact OD2-NZ 2.82Å; D51-K317 PolarHBondContact OD2-NZ 3.11Å; F288-K317 WeakPolarHBondContact CD2-O 3.37Å; Y314-K317 WeakPolarHBondContact CE1-O 3.1Å; Y314-K317 PolarHBondContact OH-O 2.71Å; K317-E321 HydrophobicContact CB-CB 4.24Å; K317-V322 HydrophobicContact CB-CG2 3.67Å
318	V	93.5	Very high	85	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	36%	0.363	C	S	.	.			trans	-92	161.6	172.8	-56.9	0	0	0	0	110.1	A287 L291 E292 V297 K320 E321 V322	A287-V318 VanDerWaalsContact O-CG1 3.3Å; A287-V318 WeakPolarHBondContact O-CG1 3.34Å; L291-V318 HydrophobicContact CB-CG1 4.09Å; E292-V318 WeakPolarHBondContact O-CG2 3.29Å; V297-V318 HydrophobicContact CG2-CG1 4.34Å; V318-K320 VanDerWaalsContact C-N 3.28Å; V318-K320 PolarHBondContact O-N 3.37Å; V318-K320 VanDerWaalsContact O-N 3.17Å; V318-E321 HydrophobicContact CG2-CB 4.18Å; V318-E321 HydrophobicContact CG2-CG 3.79Å; V318-E321 PolarHBondContact N-OE2 3.28Å; V318-E321 PolarHBondContact O-N 3.43Å; V318-V322 WeakPolarHBondContact O-CG2 3.39Å; V318-V322 PolarHBondContact O-N 3.49Å
319	A	90.7	Very high	86.6	Confident	12 Å²	12	66.9 Å²	66.9	10%	0.099	34%	0.339	C	S	.	.	H	α-helix	trans	-51.9	-43.7	-173.4	0	0	0	0	0	113	F288 Y289 V322 M323	F288-A319 HydrophobicContact CD1-CB 3.9Å; F288-A319 HydrophobicContact CE1-CB 3.59Å; F288-A319 HydrophobicContact CZ-CB 3.99Å; F288-A319 VanDerWaalsContact O-CB 3.25Å; F288-A319 WeakPolarHBondContact O-CB 3.38Å; F288-A319 PolarHBondContact O-N 3.49Å; Y289-A319 HydrophobicContact CD1-CB 4.41Å; A319-V322 PolarHBondContact O-N 3.09Å; A319-M323 WeakPolarHBondContact O-CG 3.48Å; A319-M323 PolarHBondContact O-N 3.38Å
320	K	89.6	Confident	87.7	Confident	97 Å²	97	74.7 Å²	74.7	42%	0.422	36%	0.361	S	S	.	.	H	α-helix	trans	-61.1	-47	178.3	-64.5	-164	-173.2	-175.4	0	112.3	E292 V318 V322 M323 E324	E292-K320 HydrophobicContact CB-CD 4.23Å; E292-K320 HydrophobicContact CG-CD 4.31Å; E292-K320 IonicContact OE1-NZ 3.74Å; E292-K320 PolarHBondContact OE1-NZ 3.13Å; V318-K320 VanDerWaalsContact C-N 3.28Å; V318-K320 PolarHBondContact O-N 3.37Å; V318-K320 VanDerWaalsContact O-N 3.17Å; K320-V322 VanDerWaalsContact C-N 3.33Å; K320-V322 PolarHBondContact O-N 3.43Å; K320-M323 PolarHBondContact O-N 3.03Å; K320-E324 WeakPolarHBondContact O-CG 3.45Å; K320-E324 PolarHBondContact O-N 2.89Å
321	E	91.6	Very high	88.3	Confident	40 Å²	40	77.3 Å²	77.3	19%	0.187	37%	0.366	C	S	.	.	H	α-helix	trans	-64.3	-37.9	177.9	-69.5	176.2	166.2	0	0	112.1	K293 S294 K317 V318 E324 Q325	K293-E321 VanDerWaalsContact CA-OE1 3.32Å; K293-E321 WeakPolarHBondContact CA-OE1 3.2Å; S294-E321 WeakPolarHBondContact CB-OE2 3.42Å; S294-E321 VanDerWaalsContact N-CD 3.35Å; S294-E321 PolarHBondContact N-OE1 3.02Å; S294-E321 PolarHBondContact N-OE2 3.18Å; S294-E321 PolarHBondContact OG-OE1 2.8Å; S294-E321 PolarHBondContact OG-OE2 2.86Å; K317-E321 HydrophobicContact CB-CB 4.24Å; V318-E321 HydrophobicContact CG2-CB 4.18Å; V318-E321 HydrophobicContact CG2-CG 3.79Å; V318-E321 PolarHBondContact N-OE2 3.28Å; V318-E321 PolarHBondContact O-N 3.43Å; E321-E324 PolarHBondContact O-N 3.15Å; E321-Q325 WeakPolarHBondContact O-CB 3.45Å; E321-Q325 PolarHBondContact O-N 3.25Å
322	V	91.1	Very high	88.1	Confident	2 Å²	2	75.3 Å²	75.3	1%	0.012	37%	0.37	C	S	.	.	H	α-helix	trans	-61.1	-50.2	175.1	175.9	0	0	0	0	109.8	D51 Y52 F288 K317 V318 A319 K320 E324 Q325 S326	D51-V322 HydrophobicContact CB-CB 4.43Å; D51-V322 HydrophobicContact CB-CG1 4.07Å; D51-V322 HydrophobicContact CB-CG2 3.42Å; D51-V322 VanDerWaalsContact CB-CG2 3.42Å; Y52-V322 HydrophobicContact CD2-CG1 4.41Å; Y52-V322 HydrophobicContact CE2-CG1 3.68Å; F288-V322 HydrophobicContact CE2-CG2 4.13Å; K317-V322 HydrophobicContact CB-CG2 3.67Å; V318-V322 WeakPolarHBondContact O-CG2 3.39Å; V318-V322 PolarHBondContact O-N 3.49Å; A319-V322 PolarHBondContact O-N 3.09Å; K320-V322 VanDerWaalsContact C-N 3.33Å; K320-V322 PolarHBondContact O-N 3.43Å; V322-E324 PolarHBondContact O-N 3.37Å; V322-Q325 PolarHBondContact O-N 2.88Å; V322-S326 WeakPolarHBondContact O-CB 3.4Å; V322-S326 PolarHBondContact O-N 3.42Å; V322-S326 PolarHBondContact O-OG 2.8Å; V322-S326 VanDerWaalsContact O-OG 3.12Å
323	M	89.5	Confident	87.6	Confident	98 Å²	98	78 Å²	78	48%	0.483	39%	0.39	S	S	.	.	H	α-helix	trans	-60.4	-44.1	178	-69.7	178.5	70.1	0	0	112.4	A98 A319 K320 Q325 S326 A327	A98-M323 HydrophobicContact CB-CE 4.4Å; A319-M323 WeakPolarHBondContact O-CG 3.48Å; A319-M323 PolarHBondContact O-N 3.38Å; K320-M323 PolarHBondContact O-N 3.03Å; M323-Q325 VanDerWaalsContact C-N 3.32Å; M323-Q325 PolarHBondContact O-N 2.81Å; M323-S326 PolarHBondContact O-N 2.83Å; M323-A327 WeakPolarHBondContact O-CB 3.41Å; M323-A327 PolarHBondContact O-N 3.38Å
324	E	90.6	Very high	87.2	Confident	117 Å²	117	72 Å²	72	55%	0.547	37%	0.37	S	S	.	.	H	α-helix	trans	-62.4	-37.4	177.1	-74.9	176.7	-168.9	0	0	112.7	K320 E321 V322	K320-E324 WeakPolarHBondContact O-CG 3.45Å; K320-E324 PolarHBondContact O-N 2.89Å; E321-E324 PolarHBondContact O-N 3.15Å; V322-E324 PolarHBondContact O-N 3.37Å
325	Q	89.8	Confident	86.5	Confident	100 Å²	100	78.7 Å²	78.7	47%	0.467	40%	0.402	S	S	.	.	H	α-helix	trans	-72.1	-43.4	175.6	-175.7	175	1.9	0	0	111.5	E321 V322 M323 A327 R328	E321-Q325 WeakPolarHBondContact O-CB 3.45Å; E321-Q325 PolarHBondContact O-N 3.25Å; V322-Q325 PolarHBondContact O-N 2.88Å; M323-Q325 VanDerWaalsContact C-N 3.32Å; M323-Q325 PolarHBondContact O-N 2.81Å; Q325-A327 PolarHBondContact O-N 3.35Å; Q325-R328 WeakPolarHBondContact O-CB 3.28Å; Q325-R328 PolarHBondContact O-N 3.16Å
326	S	89.1	Confident	86.3	Confident	9 Å²	9	75 Å²	75	6%	0.063	37%	0.374	C	S	.	.	H	α-helix	trans	-57.7	-39.4	175.9	-69.3	0	0	0	0	111.7	E49 V322 M323 R328 I329	E49-S326 WeakPolarHBondContact CG-OG 3.37Å; E49-S326 WeakPolarHBondContact OE1-CB 3.34Å; E49-S326 PolarHBondContact OE1-OG 3.35Å; V322-S326 WeakPolarHBondContact O-CB 3.4Å; V322-S326 PolarHBondContact O-N 3.42Å; V322-S326 PolarHBondContact O-OG 2.8Å; V322-S326 VanDerWaalsContact O-OG 3.12Å; M323-S326 PolarHBondContact O-N 2.83Å; S326-R328 PolarHBondContact O-N 2.7Å; S326-R328 VanDerWaalsContact O-N 3.08Å; S326-I329 VanDerWaalsContact O-CB 3.3Å; S326-I329 WeakPolarHBondContact O-CB 3.12Å; S326-I329 VanDerWaalsContact O-CG1 3.3Å; S326-I329 WeakPolarHBondContact O-CG1 3.49Å; S326-I329 PolarHBondContact O-N 3.47Å
327	A	88.3	Confident	85.1	Confident	76 Å²	76	80.4 Å²	80.4	63%	0.628	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.9	176.8	0	0	0	0	0	113.7	M323 Q325	M323-A327 WeakPolarHBondContact O-CB 3.41Å; M323-A327 PolarHBondContact O-N 3.38Å; Q325-A327 PolarHBondContact O-N 3.35Å
328	R	88.9	Confident	83.6	Confident	191 Å²	191	79 Å²	79	72%	0.721	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-5.7	178	-59.5	175.8	-171.1	-174.7	2.4	113.5	Q325 S326 K330	Q325-R328 WeakPolarHBondContact O-CB 3.28Å; Q325-R328 PolarHBondContact O-N 3.16Å; S326-R328 PolarHBondContact O-N 2.7Å; S326-R328 VanDerWaalsContact O-N 3.08Å; R328-K330 PolarHBondContact O-N 3.44Å
329	I	88.6	Confident	82.2	Confident	30 Å²	30	82.2 Å²	82.2	15%	0.154	40%	0.4	C	S	.	.			trans	-65.7	118.1	178.7	-63	171.1	0	0	0	108.8	L48 E49 K100 E101 S326 R331	L48-I329 HydrophobicContact CB-CD1 3.95Å; L48-I329 HydrophobicContact CD1-CD1 4.11Å; L48-I329 HydrophobicContact CD1-CG1 4.17Å; L48-I329 HydrophobicContact CD1-CG2 3.81Å; E49-I329 HydrophobicContact CG-CD1 4.06Å; K100-I329 HydrophobicContact CG-CB 4.45Å; E101-I329 HydrophobicContact CG-CD1 4.03Å; S326-I329 VanDerWaalsContact O-CB 3.3Å; S326-I329 WeakPolarHBondContact O-CB 3.12Å; S326-I329 VanDerWaalsContact O-CG1 3.3Å; S326-I329 WeakPolarHBondContact O-CG1 3.49Å; S326-I329 PolarHBondContact O-N 3.47Å; I329-R331 HydrophobicContact CG2-CG 3.87Å
330	K	83.2	Confident	79.9	Confident	205 Å²	205	86.4 Å²	86.4	89%	0.891	43%	0.434	S	S	*	.			trans	-123.1	81.8	175.6	-64.6	-177.3	-177.4	-175.7	0	108.5	R328	R328-K330 PolarHBondContact O-N 3.44Å
331	R	87.6	Confident	77.6	Confident	84 Å²	84	84.5 Å²	84.5	32%	0.317	44%	0.443	S	S	.	.	S	Bend	trans	-149.9	160	170.7	68.2	173.4	-172.5	158	2.5	109.3	N46 L48 E101 I329	N46-R331 VanDerWaalsContact CG-NH1 3.29Å; N46-R331 PolarHBondContact ND2-NH1 2.95Å; N46-R331 PolarHBondContact O-NH2 3.24Å; N46-R331 PolarHBondContact OD1-NH1 3.19Å; L48-R331 VanDerWaalsContact CD1-NE 3.26Å; E101-R331 IonicContact OE1-CZ 3.14Å; E101-R331 IonicContact OE1-NE 2.81Å; E101-R331 PolarHBondContact OE1-NE 2.87Å; E101-R331 IonicContact OE1-NH2 2.66Å; E101-R331 PolarHBondContact OE1-NH2 3Å; E101-R331 IonicContact OE2-NH2 3.54Å; I329-R331 HydrophobicContact CG2-CG 3.87Å
332	D	77.9	Confident	75.3	Confident	147 Å²	147	85.2 Å²	85.2	79%	0.786	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-68.3	141.8	169.7	-61.2	-48.1	0	0	0	110
333	P	75.9	Confident	72.9	Confident	81 Å²	81	90.6 Å²	90.6	53%	0.526	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-55.9	137.3	176.7	-24	33.8	0	0	0	111.1	E102	E102-P333 HydrophobicContact CB-CB 4.48Å
334	P	79.4	Confident	70.4	Confident	20 Å²	20	89.3 Å²	89.3	13%	0.13	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-68.3	145.7	175.9	29.6	-34.6	0	0	0	111.3	N46 I103 I336	N46-P334 HydrophobicContact CB-CB 4.4Å; N46-P334 WeakPolarHBondContact ND2-CB 3.48Å; I103-P334 HydrophobicContact CB-CG 3.92Å; I103-P334 HydrophobicContact CG2-CG 3.64Å; P334-I336 PolarHBondContact O-N 2.89Å
335	E	72.7	Confident	67.9	Low	155 Å²	155	85.8 Å²	85.8	72%	0.724	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-65.3	125.1	174.6	-75.1	-175.7	177.7	0	0	111.4	H337	E335-H337 PolarHBondContact O-N 2.93Å; E335-H337 VanDerWaalsContact O-N 3.11Å; E335-H337 PolarHBondContact O-ND1 3.42Å; E335-H337 IonicContact OE2-CE1 3.77Å; E335-H337 IonicContact OE2-NE2 3.69Å
336	I	77.4	Confident	65.6	Low	18 Å²	18	92.1 Å²	92.1	9%	0.092	49%	0.486	C	S	.	.			trans	-88.4	80.4	179.9	-56	178.2	0	0	0	108.3	E102 I103 Y106 P334 S338 R339	E102-I336 HydrophobicContact CB-CD1 4.4Å; E102-I336 HydrophobicContact CG-CD1 3.99Å; I103-I336 HydrophobicContact CB-CD1 4.37Å; I103-I336 HydrophobicContact CB-CG1 4.49Å; I103-I336 HydrophobicContact CD1-CD1 4.33Å; I103-I336 HydrophobicContact CD1-CG1 4.07Å; Y106-I336 HydrophobicContact CD1-CG2 3.59Å; Y106-I336 HydrophobicContact CD2-CG2 4.44Å; Y106-I336 HydrophobicContact CE1-CG2 3.64Å; Y106-I336 HydrophobicContact CE2-CG2 4.48Å; Y106-I336 HydrophobicContact CG-CD1 4.2Å; Y106-I336 HydrophobicContact CG-CG2 4Å; P334-I336 PolarHBondContact O-N 2.89Å; I336-S338 WeakPolarHBondContact CG2-OG 3.46Å; I336-S338 PolarHBondContact O-N 2.91Å; I336-S338 VanDerWaalsContact O-N 3.13Å; I336-R339 HydrophobicContact CB-CG 4.44Å; I336-R339 HydrophobicContact CG2-CG 3.99Å; I336-R339 PolarHBondContact O-N 2.96Å
337	H	61.2	Low	63.1	Low	147 Å²	147	92.6 Å²	92.6	68%	0.681	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-60.5	-21.9	-177.9	-64.4	78.4	0	0	0	113.4	E335 R339 A340	E335-H337 PolarHBondContact O-N 2.93Å; E335-H337 VanDerWaalsContact O-N 3.11Å; E335-H337 PolarHBondContact O-ND1 3.42Å; E335-H337 IonicContact OE2-CE1 3.77Å; E335-H337 IonicContact OE2-NE2 3.69Å; H337-R339 PolarHBondContact O-N 2.85Å; H337-A340 PolarHBondContact O-N 2.89Å
338	S	58.9	Low	60.8	Low	31 Å²	31	93 Å²	93	22%	0.217	49%	0.486	C	S	.	.	G	3₁₀ helix	trans	-70.1	-12	179.8	58.9	0	0	0	0	114.2	Y106 I336 A340	Y106-S338 WeakPolarHBondContact CE1-OG 3.22Å; Y106-S338 PolarHBondContact OH-OG 3.43Å; I336-S338 WeakPolarHBondContact CG2-OG 3.46Å; I336-S338 PolarHBondContact O-N 2.91Å; I336-S338 VanDerWaalsContact O-N 3.13Å; S338-A340 VanDerWaalsContact C-N 3.31Å; S338-A340 PolarHBondContact O-N 2.79Å
339	R	64.1	Low	58.3	Low	67 Å²	67	89.3 Å²	89.3	25%	0.253	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-67.9	-29.9	175.3	-71	-171.6	176.3	120.9	6.6	113	E102 Y106 E184 E187 I336 H337 G341	E102-R339 IonicContact OE1-CZ 3.15Å; E102-R339 IonicContact OE1-NH1 2.69Å; E102-R339 PolarHBondContact OE1-NH1 3.35Å; E102-R339 IonicContact OE1-NH2 2.75Å; E102-R339 PolarHBondContact OE1-NH2 2.98Å; Y106-R339 HydrophobicContact CE2-CG 4.29Å; E184-R339 IonicContact OE1-CZ 3.45Å; E184-R339 IonicContact OE1-NE 3.77Å; E184-R339 IonicContact OE1-NH1 3.06Å; E184-R339 PolarHBondContact OE1-NH1 2.85Å; E187-R339 IonicContact OE1-CZ 3.96Å; E187-R339 IonicContact OE1-NE 3.23Å; E187-R339 PolarHBondContact OE1-NE 2.89Å; E187-R339 IonicContact OE1-NH2 3.79Å; E187-R339 IonicContact OE2-CZ 3.69Å; E187-R339 IonicContact OE2-NE 3.71Å; E187-R339 IonicContact OE2-NH2 2.84Å; E187-R339 PolarHBondContact OE2-NH2 3.27Å; I336-R339 HydrophobicContact CB-CG 4.44Å; I336-R339 HydrophobicContact CG2-CG 3.99Å; I336-R339 PolarHBondContact O-N 2.96Å; H337-R339 PolarHBondContact O-N 2.85Å; R339-G341 PolarHBondContact O-N 2.9Å
340	A	41.5	Very low	55.7	Low	99 Å²	99	91.5 Å²	91.5	82%	0.818	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-90.2	8.9	-167.6	0	0	0	0	0	115.6	H337 S338	H337-A340 PolarHBondContact O-N 2.89Å; S338-A340 VanDerWaalsContact C-N 3.31Å; S338-A340 PolarHBondContact O-N 2.79Å
341	G	42.3	Very low	53.4	Low	58 Å²	58	85.5 Å²	85.5	60%	0.598	48%	0.482	S	S	*	.			trans	-154.3	14.8	-169.8	0	0	0	0	0	117.1	R339 V343	R339-G341 PolarHBondContact O-N 2.9Å; G341-V343 VanDerWaalsContact C-N 3.32Å; G341-V343 PolarHBondContact O-N 2.78Å
342	M	43.6	Very low	51.2	Low	54 Å²	54	83.8 Å²	83.8	27%	0.266	48%	0.481	S	S	.	.			trans	-70.8	91.8	173.1	-73.3	-169.6	80.5	0	0	109.6	L110	L110-M342 HydrophobicContact CD2-SD 4.47Å
343	V	39.9	Very low	49	Very low	115 Å²	115	85.4 Å²	85.4	70%	0.697	48%	0.484	S	S	*	.			trans	-46.1	134.9	156.6	179.5	0	0	0	0	106.9	G341 S345	G341-V343 VanDerWaalsContact C-N 3.32Å; G341-V343 PolarHBondContact O-N 2.78Å; V343-S345 WeakPolarHBondContact O-CA 3.36Å; V343-S345 PolarHBondContact O-N 2.75Å
344	P	37.8	Very low	47	Very low	72 Å²	72	84.3 Å²	84.3	47%	0.468	49%	0.487	S	S	.	.	S	Bend	trans	-45.4	111.1	-178	9.7	-24.6	0	0	0	108.6	R346	P344-R346 PolarHBondContact O-N 3.44Å
345	S	38	Very low	44.5	Very low	43 Å²	43	89.4 Å²	89.4	30%	0.301	52%	0.52	S	S	.	.			trans	-58.7	110.6	-163.1	-161.2	0	0	0	0	107.1	V343 S347	V343-S345 WeakPolarHBondContact O-CA 3.36Å; V343-S345 PolarHBondContact O-N 2.75Å; S345-S347 PolarHBondContact O-N 3.35Å
346	R	40.4	Very low	42.4	Very low	232 Å²	232	93 Å²	93	88%	0.875	53%	0.527	S	S	*	.			trans	-72.1	73.7	165.6	-72.2	-172.5	178.5	-152	0.9	105.9	P344 C348	P344-R346 PolarHBondContact O-N 3.44Å; R346-C348 PolarHBondContact O-N 2.85Å
347	S	38.2	Very low	40.1	Very low	19 Å²	19	99.6 Å²	99.6	13%	0.133	56%	0.562	C	S	.	*			trans	-59.1	102.6	170.8	45	0	0	0	0	107.2	Y117 S345	Y117-S347 VanDerWaalsContact CE1-CB 3.48Å; Y117-S347 WeakPolarHBondContact CE2-OG 3.42Å; Y117-S347 PolarHBondContact OH-O 3.49Å; Y117-S347 PolarHBondContact OH-OG 3.05Å; S345-S347 PolarHBondContact O-N 3.35Å
348	C	39.3	Very low	38.7	Very low	84 Å²	84	99.2 Å²	99.2	57%	0.568	57%	0.57	S	S	*	*			trans	-152	154.2	-173.8	-88.6	0	0	0	0	108.7	R346	R346-C348 PolarHBondContact O-N 2.85Å
349	P	35.8	Very low	37.2	Very low	114 Å²	114	102.8 Å²	102.8	74%	0.74	60%	0.595	S	S	*	*				-90.5	172.1	-103.7	7.9	12.3	0	0	0	113.1
350	S	35.5	Very low	35.7	Very low	76 Å²	76	105.8 Å²	105.8	53%	0.531	62%	0.62	S	S	.	*			trans	-20.9	131.3	167.5	179.7	0	0	0	0	115	T352	S350-T352 PolarHBondContact O-N 3.04Å
351	I	34.5	Very low	35.2	Very low	80 Å²	80	106.7 Å²	106.7	41%	0.41	62%	0.618	S	S	.	*	S	Bend	trans	-58.4	83.1	168.5	-65.6	169.1	0	0	0	108.9	T84 C86	T84-I351 HydrophobicContact CG2-CD1 4.34Å; C86-I351 WeakPolarHBondContact SG-CD1 3.3Å
352	T	39.9	Very low	34.6	Very low	48 Å²	48	115.5 Å²	115.5	29%	0.294	63%	0.633	S	S	.	*			trans	-163.3	83.6	164.4	44.7	0	0	0	0	106.6	K62 S350	K62-T352 HydrophobicContact CD-CG2 3.61Å; S350-T352 PolarHBondContact O-N 3.04Å
353	H	32.5	Very low	34	Very low	180 Å²	180	120 Å²	120	83%	0.833	66%	0.663	S	S	*	*			trans	-169.7	127.4	142.4	-87.9	-55.9	0	0	0	108.9
354	G	33.2	Very low	33.5	Very low	58 Å²	58	124.7 Å²	124.7	60%	0.598	67%	0.669	S	S	*	*			trans	-67.8	-179.4	171.4	0	0	0	0	0	112.6	R356	G354-R356 PolarHBondContact O-N 3.41Å; G354-R356 VanDerWaalsContact O-N 3.17Å
355	P	28.2	Very low	33.1	Very low	127 Å²	127	130.9 Å²	130.9	83%	0.825	68%	0.683	S	S	*	*			trans	-68.1	115.7	-169.6	27.4	-32	0	0	0	110.4	L357	P355-L357 PolarHBondContact O-N 2.99Å; P355-L357 VanDerWaalsContact O-N 3.1Å
356	R	29	Very low	32.6	Very low	231 Å²	231	139.4 Å²	139.4	87%	0.872	71%	0.708	S	S	*	*			trans	-73.2	99.4	163.3	-83.4	-173.1	175.3	174.6	-0.2	108	G354 T358	G354-R356 PolarHBondContact O-N 3.41Å; G354-R356 VanDerWaalsContact O-N 3.17Å; R356-T358 PolarHBondContact O-N 3.16Å
357	L	28.6	Very low	31.9	Very low	157 Å²	157	132.6 Å²	132.6	82%	0.822	70%	0.702	S	S	*	*			trans	-57.1	119.3	162.1	-70.7	165.2	0	0	0	108.7	P355 S359	P355-L357 PolarHBondContact O-N 2.99Å; P355-L357 VanDerWaalsContact O-N 3.1Å; L357-S359 PolarHBondContact O-N 2.81Å
358	T	31.4	Very low	31.4	Very low	139 Å²	139	138 Å²	138	85%	0.853	73%	0.734	S	S	*	*			trans	-75	116.6	166.9	44.7	0	0	0	0	108.7	R356	R356-T358 PolarHBondContact O-N 3.16Å
359	S	28.4	Very low	30.6	Very low	105 Å²	105	141.8 Å²	141.8	73%	0.734	74%	0.743	S	S	*	*			trans	-146.5	84.9	165.8	49.6	0	0	0	0	111.6	L357	L357-S359 PolarHBondContact O-N 2.81Å
360	V	31.5	Very low	30.2	Very low	131 Å²	131	142 Å²	142	79%	0.794	74%	0.737	S	S	*	*				24.5	137.8	121.6	-162.1	0	0	0	0	116
361	P	31.8	Very low	29.7	Very low	118 Å²	118	142.9 Å²	142.9	77%	0.766	74%	0.743	S	S	*	*				-146.1	152.2	50.3	32.7	-8.9	0	0	0	120.5
362	R	30.1	Very low	29.3	Very low	243 Å²	243	146.5 Å²	146.5	92%	0.917	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-63.8	133.4	158.1	-80.2	177.2	155.4	100.8	-2.9	110.6
363	T	29.8	Very low	28.6	Very low	147 Å²	147	151.6 Å²	151.6	90%	0.902	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-80.1	132.5	162.6	39.9	0	0	0	0	111.3
364	R	29.6	Very low	28.3	Very low	215 Å²	215	150.7 Å²	150.7	81%	0.811	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-88.2	148.1	-175.3	-162.8	-172.7	-162.2	-158.1	4.6	110
365	R	28.7	Very low	27.9	Very low	201 Å²	201	151.1 Å²	151.1	76%	0.758	78%	0.784	S	S	*	*				153.1	140.8	113.3	-82.6	-179.8	-166.7	-147.1	1.7	108
366	R	27.8	Very low	27.8	Very low	222 Å²	222	155.9 Å²	155.9	84%	0.838	79%	0.786	S	S	*	*			cis	-152.2	132.9	30.2	-106.8	159.1	-174.2	-175.6	2.3	108.2
367	A	26.6	Very low	27.6	Very low	90 Å²	90	150.1 Å²	150.1	74%	0.744	77%	0.772	S	S	*	*				78.7	127.7	97.6	0	0	0	0	0	111.9
368	V	27.1	Very low	27.5	Very low	131 Å²	131	150.5 Å²	150.5	79%	0.794	77%	0.769	S	S	*	*				-172	129.2	54.7	162.9	0	0	0	0	109.4
369	H	23.5	Very low	27.3	Very low	165 Å²	165	148 Å²	148	76%	0.764	76%	0.757	S	S	*	*				48.6	144.3	129.5	-142.4	-109.5	0	0	0	120.6
370	I	26	Very low	27.3	Very low	119 Å²	119	149.2 Å²	149.2	61%	0.61	76%	0.755	S	S	*	*			cis	-170.7	165.1	-5.9	-109.8	-165.8	0	0	0	108.3
371	S	25.5	Very low	27.2	Very low	94 Å²	94	152.7 Å²	152.7	66%	0.657	75%	0.754	S	S	*	*			trans	65.3	118.2	158.5	54.4	0	0	0	0	119.8
372	I	26.4	Very low	26.9	Very low	156 Å²	156	153.1 Å²	153.1	80%	0.8	75%	0.75	S	S	*	*				87.4	127.6	69.4	-70.7	167.9	0	0	0	112.7
373	M	24.9	Very low	26.8	Very low	155 Å²	155	146.7 Å²	146.7	76%	0.764	74%	0.742	S	S	*	*			trans	70.2	155.5	165.6	-79.3	-167.1	138.6	0	0	116.7
374	E	26.2	Very low	26.6	Very low	160 Å²	160	143.3 Å²	143.3	75%	0.748	73%	0.729	S	S	*	*			cis	179.1	148.9	-12.9	174	169.8	-148.5	0	0	102.6
375	G	25.1	Very low	26.5	Very low	68 Å²	68	141.7 Å²	141.7	70%	0.701	73%	0.73	S	S	*	*			trans	89	119.2	153.3	0	0	0	0	0	119
376	R	25.5	Very low	26.3	Very low	227 Å²	227	137 Å²	137	86%	0.857	73%	0.728	S	S	*	*				79.4	106	118	-156.2	169.7	-173.3	-163.8	1.6	118.4
377	L	25.6	Very low	26.3	Very low	110 Å²	110	132.4 Å²	132.4	58%	0.576	73%	0.725	S	S	*	*				75.4	131.6	119.5	-160.2	69.5	0	0	0	119.9
378	E	27.1	Very low	26.9	Very low	165 Å²	165	133.7 Å²	133.7	77%	0.771	73%	0.726	S	S	*	*			trans	66.5	145.2	150.3	-81.7	161.4	-163.3	0	0	115.8
379	S	26.2	Very low	26.9	Very low	85 Å²	85	133.2 Å²	133.2	59%	0.594	72%	0.723	S	S	*	*			cis	173.8	148.3	11.7	144.7	0	0	0	0	107.3
380	L	28.5	Very low	27	Very low	132 Å²	132	136.9 Å²	136.9	69%	0.691	73%	0.73	S	S	*	*			trans	75.1	129.1	147.7	-73	167.6	0	0	0	121.9
381	R	29.3	Very low	27.1	Very low	203 Å²	203	136 Å²	136	77%	0.766	74%	0.735	S	S	*	*			trans	72.1	147.2	133.8	-73.3	-174.2	175.3	165.9	-0.7	117.5
382	D	24.8	Very low	27.2	Very low	127 Å²	127	137.7 Å²	137.7	68%	0.679	74%	0.741	S	S	*	*			cis	-172.8	168	-9.3	-111.2	-21.1	0	0	0	104.2
383	S	28.4	Very low	27.3	Very low	109 Å²	109	134.6 Å²	134.6	76%	0.762	73%	0.733	S	S	*	*			trans	79.2	105.5	154.3	-52.4	0	0	0	0	116.8
384	A	25.8	Very low	27.5	Very low	76 Å²	76	135.8 Å²	135.8	63%	0.628	74%	0.736	S	S	*	*				85.6	139.3	65.2	0	0	0	0	0	114.4
385	H	27.2	Very low	27.4	Very low	180 Å²	180	131.2 Å²	131.2	83%	0.833	73%	0.732	S	S	*	*			trans	84.1	140.7	168.1	-49.3	-52.5	0	0	0	116.4
386	S	25.8	Very low	27.5	Very low	103 Å²	103	135.3 Å²	135.3	72%	0.72	74%	0.738	S	S	*	*			cis	-173.4	150.2	-14.4	-89	0	0	0	0	104.9
387	T	28	Very low	27.5	Very low	126 Å²	126	128.8 Å²	128.8	77%	0.773	73%	0.727	S	S	*	*			trans	-60.2	164.2	165.6	53.9	0	0	0	0	111.9
388	P	39.1	Very low	27.5	Very low	117 Å²	117	132.5 Å²	132.5	76%	0.76	74%	0.739	S	S	*	*				-151.8	143.6	79.4	34.2	-12	0	0	0	118.2
389	V	26.7	Very low	27.6	Very low	121 Å²	121	132.2 Å²	132.2	73%	0.733	74%	0.74	S	S	*	*				30.9	126.3	125.8	-172.2	0	0	0	0	120.4
390	R	26.2	Very low	27.6	Very low	241 Å²	241	133 Å²	133	91%	0.909	75%	0.746	S	S	*	*				-169.9	135.9	116.4	-105.6	-175.2	176.7	112.7	-2.1	114.3
391	S	27.3	Very low	27.5	Very low	101 Å²	101	132 Å²	132	71%	0.706	75%	0.75	S	S	*	*			trans	-80.7	166.9	166.8	37.6	0	0	0	0	111.9
392	V	27.3	Very low	27.5	Very low	130 Å²	130	134.6 Å²	134.6	79%	0.788	76%	0.759	S	S	*	*				177.5	148.7	121.3	176.7	0	0	0	0	110.4
393	S	28	Very low	27.6	Very low	90 Å²	90	132 Å²	132	63%	0.629	76%	0.762	S	S	*	*			trans	-85.4	-171.8	-174.5	59.2	0	0	0	0	117
394	H	29	Very low	27.5	Very low	180 Å²	180	135 Å²	135	83%	0.833	76%	0.764	S	S	*	*			trans	110	134.6	165.8	-65.1	-72.1	0	0	0	113.1
395	G	25.5	Very low	27.6	Very low	65 Å²	65	137.3 Å²	137.3	67%	0.67	77%	0.765	S	S	*	*			cis	130.4	124	12.1	0	0	0	0	0	109.6
396	D	26.1	Very low	27.7	Very low	153 Å²	153	136.6 Å²	136.6	82%	0.818	76%	0.762	S	S	*	*			trans	83.3	110.3	155.5	-71.9	-38	0	0	0	124.3
397	S	25.7	Very low	27.7	Very low	90 Å²	90	139.8 Å²	139.8	63%	0.629	77%	0.771	S	S	*	*				62.8	112.4	100	-53.8	0	0	0	0	123.2
398	F	25.8	Very low	27.6	Very low	189 Å²	189	137.1 Å²	137.1	83%	0.829	77%	0.768	S	S	*	*			trans	67.9	129.8	135.8	-73.3	-75.3	0	0	0	124.9
399	M	29.4	Very low	27	Very low	158 Å²	158	136.8 Å²	136.8	78%	0.778	77%	0.769	S	S	*	*				158.7	114.8	124.7	-82.5	-69.5	106.7	0	0	109.1
400	S	25.4	Very low	27	Very low	103 Å²	103	139.6 Å²	139.6	72%	0.72	77%	0.774	S	S	*	*				75.9	117	78	-165.7	0	0	0	0	116.1
401	S	27.6	Very low	27	Very low	111 Å²	111	132.1 Å²	132.1	78%	0.776	76%	0.764	S	S	*	*			trans	-179.7	114.5	137.4	-77.5	0	0	0	0	110
402	R	28.9	Very low	26.9	Very low	257 Å²	257	133.3 Å²	133.3	97%	0.97	77%	0.772	S	S	*	*				75.2	129.4	85.1	-141.3	-179.1	-170.5	-177.5	1.2	112
403	G	25.5	Very low	26.8	Very low	71 Å²	71	133.7 Å²	133.7	73%	0.732	78%	0.775	S	S	*	*			cis	-165	167	-0.8	0	0	0	0	0	106
404	H	26.5	Very low	26.7	Very low	174 Å²	174	135.2 Å²	135.2	81%	0.806	79%	0.786	S	S	*	*				171.8	140	72.7	-161.1	38.7	0	0	0	109
405	L	28.4	Very low	26.4	Very low	123 Å²	123	129.7 Å²	129.7	64%	0.644	78%	0.778	S	S	*	*			trans	21.3	146.8	149.6	-59.5	172.6	0	0	0	120.7
406	E	29	Very low	26.5	Very low	165 Å²	165	133.2 Å²	133.2	77%	0.771	79%	0.785	S	S	*	*			cis	-165.4	134.3	18.2	-121.1	167.2	-162.1	0	0	107.9
407	D	26.6	Very low	26.3	Very low	170 Å²	170	133.8 Å²	133.8	91%	0.909	79%	0.787	S	S	*	*				88	136.9	116.7	-158.3	25.7	0	0	0	117.2
408	G	25.9	Very low	26.4	Very low	70 Å²	70	134.3 Å²	134.3	72%	0.722	79%	0.79	S	S	*	*			trans	135.8	99.5	171.8	0	0	0	0	0	116.5
409	S	26.5	Very low	26.3	Very low	111 Å²	111	133 Å²	133	78%	0.776	79%	0.792	S	S	*	*			trans	-66.4	162	176.2	-177.7	0	0	0	0	115.4
410	E	26.6	Very low	26.3	Very low	179 Å²	179	134.5 Å²	134.5	84%	0.836	80%	0.797	S	S	*	*			trans	105	107.4	154.2	-55.9	-161	158.2	0	0	120.7
411	A	26.7	Very low	26.4	Very low	84 Å²	84	135.6 Å²	135.6	69%	0.694	80%	0.8	S	S	*	*				59.3	87.8	124.2	0	0	0	0	0	119.3	T413	A411-T413 PolarHBondContact O-N 2.82Å
412	S	25.4	Very low	26.5	Very low	126 Å²	126	137.9 Å²	137.9	88%	0.881	79%	0.793	S	S	*	*			trans	-75.6	98.2	157.1	54.9	0	0	0	0	110.8
413	T	24.6	Very low	26.3	Very low	139 Å²	139	128.2 Å²	128.2	85%	0.853	77%	0.765	S	S	*	*			trans	-91.5	108.3	159.9	48.2	0	0	0	0	108.6	A411	A411-T413 PolarHBondContact O-N 2.82Å
414	S	25.8	Very low	26.4	Very low	122 Å²	122	128.6 Å²	128.6	85%	0.853	75%	0.754	S	S	*	*			trans	-109.9	119.7	167.2	-178.5	0	0	0	0	108.8
415	G	23.2	Very low	26.5	Very low	64 Å²	64	125 Å²	125	66%	0.66	75%	0.748	S	S	*	*			trans	-70.3	141	-174.6	0	0	0	0	0	114.7
416	V	26.4	Very low	26.5	Very low	138 Å²	138	124.8 Å²	124.8	84%	0.836	75%	0.748	S	S	*	*				39	108.2	128.7	-170.6	0	0	0	0	117.5
417	I	22.4	Very low	26.5	Very low	165 Å²	165	121.3 Å²	121.3	85%	0.846	74%	0.742	S	S	*	*				-139.9	137.3	128.3	-60	-172.5	0	0	0	108.5
418	S	26.8	Very low	26.7	Very low	101 Å²	101	118.5 Å²	118.5	71%	0.706	73%	0.731	S	S	*	*			trans	-65.1	138.4	-173.5	46.4	0	0	0	0	116.4
419	D	24.8	Very low	26.9	Very low	162 Å²	162	121.7 Å²	121.7	87%	0.866	73%	0.73	S	S	*	*			trans	-109.8	92.8	167.6	-88.4	-27.5	0	0	0	111.9
420	E	30.1	Very low	27.1	Very low	189 Å²	189	120.6 Å²	120.6	88%	0.883	72%	0.721	S	S	*	*			trans	-91.3	99.7	146.5	-88.6	-150.3	147.1	0	0	108
421	T	26.9	Very low	27.3	Very low	127 Å²	127	116.6 Å²	116.6	78%	0.779	71%	0.709	S	S	*	*			trans	-161.1	89.7	152.7	-49.8	0	0	0	0	108.6
422	Y	29.2	Very low	27.8	Very low	159 Å²	159	117.7 Å²	117.7	62%	0.624	71%	0.708	S	S	*	*			trans	-100.9	109.4	172.7	-176.7	-110.2	0	0	0	110.7
423	S	26	Very low	28.3	Very low	54 Å²	54	117.4 Å²	117.4	38%	0.378	70%	0.701	S	S	.	*			trans	-102.1	136	165.7	-174.6	0	0	0	0	108.2	S425 D426	S423-S425 PolarHBondContact O-N 2.95Å; S423-D426 PolarHBondContact O-N 2.84Å
424	P	26.9	Very low	28.5	Very low	78 Å²	78	115.3 Å²	115.3	51%	0.506	70%	0.698	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.9	6.9	-177.7	-14.9	29	0	0	0	114.9
425	S	28.5	Very low	29.1	Very low	99 Å²	99	117.8 Å²	117.8	69%	0.692	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-11	-179	-61.9	0	0	0	0	113.9	S423 S427	S423-S425 PolarHBondContact O-N 2.95Å; S425-S427 PolarHBondContact O-N 2.8Å
426	D	29.3	Very low	29.4	Very low	118 Å²	118	122.6 Å²	122.6	63%	0.631	71%	0.707	S	S	*	*			trans	-100.5	47.3	-176.6	-68.6	-34.4	0	0	0	113.4	S423 V428	S423-D426 PolarHBondContact O-N 2.84Å; D426-V428 VanDerWaalsContact C-N 3.32Å; D426-V428 PolarHBondContact O-N 3.3Å; D426-V428 VanDerWaalsContact O-N 3.14Å
427	S	28.5	Very low	29.7	Very low	92 Å²	92	119.4 Å²	119.4	64%	0.643	70%	0.702	S	S	*	*			trans	-79.7	89.1	158.7	-163.9	0	0	0	0	108.6	S425 L429	S425-S427 PolarHBondContact O-N 2.8Å; S427-L429 PolarHBondContact O-N 2.81Å
428	V	30.8	Very low	30	Very low	112 Å²	112	118.3 Å²	118.3	68%	0.679	70%	0.702	S	S	*	*			trans	-74.3	101.1	173.4	-163.8	0	0	0	0	107.7	D426	D426-V428 VanDerWaalsContact C-N 3.32Å; D426-V428 PolarHBondContact O-N 3.3Å; D426-V428 VanDerWaalsContact O-N 3.14Å
429	L	29.8	Very low	30.3	Very low	136 Å²	136	122.4 Å²	122.4	71%	0.712	71%	0.71	S	S	*	*				167.8	151.8	127.3	-83.1	173.3	0	0	0	111.1	S427	S427-L429 PolarHBondContact O-N 2.81Å
430	P	30.7	Very low	30.4	Very low	88 Å²	88	122.5 Å²	122.5	57%	0.571	71%	0.71	S	S	*	*			trans	-80	152.8	-172.7	32.7	-33.1	0	0	0	112.8	P432	P430-P432 VanDerWaalsContact O-CD 3.3Å; P430-P432 WeakPolarHBondContact O-CD 3.4Å
431	T	31.6	Very low	30.4	Very low	96 Å²	96	119.6 Å²	119.6	59%	0.589	71%	0.707	S	S	*	*			trans	-63.3	113.4	163.4	-35.8	0	0	0	0	108.5
432	P	36.8	Very low	30.4	Very low	106 Å²	106	118.2 Å²	118.2	69%	0.688	70%	0.703	S	S	*	*				-137.8	150.3	106.2	33.4	-18.4	0	0	0	113.2	P430	P430-P432 VanDerWaalsContact O-CD 3.3Å; P430-P432 WeakPolarHBondContact O-CD 3.4Å
433	V	34.8	Very low	30.5	Very low	121 Å²	121	116 Å²	116	73%	0.733	72%	0.718	S	S	*	*			trans	-81.3	115	167.8	-177.2	0	0	0	0	107
434	A	30.1	Very low	31	Very low	94 Å²	94	123.1 Å²	123.1	78%	0.777	74%	0.736	S	S	*	*			trans	-109.3	125.8	160.1	0	0	0	0	0	107.5
435	E	36.8	Very low	31.5	Very low	174 Å²	174	127.6 Å²	127.6	81%	0.813	75%	0.75	S	S	*	*			trans	-75.5	130.1	166.5	-60.1	-159.2	151.2	0	0	108.7
436	D	30.3	Very low	32.7	Very low	165 Å²	165	129.6 Å²	129.6	88%	0.882	75%	0.752	S	S	*	*			trans	171.2	141.5	134.4	-88.3	-31.5	0	0	0	110.1
437	G	33.4	Very low	34.6	Very low	71 Å²	71	125.3 Å²	125.3	73%	0.732	73%	0.729	S	S	*	*			trans	-81.5	171.7	-164.5	0	0	0	0	0	116.2
438	V	28.7	Very low	36.1	Very low	142 Å²	142	122 Å²	122	86%	0.861	71%	0.709	S	S	*	*				-175.9	122	125.8	167.1	0	0	0	0	106.7
439	E	33.3	Very low	37.7	Very low	187 Å²	187	119.1 Å²	119.1	87%	0.874	70%	0.698	S	S	*	*			trans	-77.9	143.1	173.9	-68.8	-174.4	149.4	0	0	111.4
440	L	26	Very low	39.2	Very low	164 Å²	164	116.8 Å²	116.8	86%	0.859	69%	0.691	S	S	*	*			trans	-140.7	132.6	156.1	-143.2	79.1	0	0	0	109
441	P	30.8	Very low	40.3	Very low	128 Å²	128	114.1 Å²	114.1	83%	0.831	67%	0.674	S	S	*	*			trans	-87.7	131	-168	33.3	-30.2	0	0	0	110.8
442	S	26.6	Very low	41.4	Very low	99 Å²	99	112.4 Å²	112.4	69%	0.692	67%	0.666	S	S	*	*			trans	-116.2	128.9	159.4	-75.2	0	0	0	0	107.7	R444	S442-R444 WeakPolarHBondContact O-CG 3.4Å; S442-R444 PolarHBondContact O-N 3.33Å
443	A	30.9	Very low	42.1	Very low	112 Å²	112	112.5 Å²	112.5	93%	0.926	66%	0.659	S	S	*	*			trans	-56.4	105.9	-178	0	0	0	0	0	110.6
444	R	35.9	Very low	42.8	Very low	204 Å²	204	112.3 Å²	112.3	77%	0.77	65%	0.654	S	S	*	*			trans	-99.4	127	178.8	-73.2	171.1	-176.2	161.3	2.4	108.7	S442 L446	S442-R444 WeakPolarHBondContact O-CG 3.4Å; S442-R444 PolarHBondContact O-N 3.33Å; R444-L446 PolarHBondContact O-N 2.82Å
445	H	37.4	Very low	44	Very low	172 Å²	172	112 Å²	112	80%	0.796	64%	0.637	S	S	*	*			trans	-61.5	105.4	154.7	-77.5	-83.1	0	0	0	107	N447	H445-N447 PolarHBondContact O-N 2.85Å
446	L	54.1	Low	44.9	Very low	140 Å²	140	106.2 Å²	106.2	73%	0.733	61%	0.61	S	S	*	*			trans	-70.6	114.7	-179.5	-80.9	109.7	0	0	0	109.8	R444 G448 A449	R444-L446 PolarHBondContact O-N 2.82Å; L446-G448 PolarHBondContact O-N 2.77Å; L446-A449 PolarHBondContact O-N 2.82Å
447	N	70.2	Confident	45.9	Very low	28 Å²	28	104.4 Å²	104.4	15%	0.15	59%	0.594	C	S	.	*	T	Hydrogen-bonded Turn	trans	-59.9	123.4	165.1	-157.9	1.9	0	0	0	107.8	V210 T266 H445	V210-N447 HydrophobicContact CG2-CB 4.06Å; T266-N447 PolarHBondContact N-OD1 3.41Å; T266-N447 VanDerWaalsContact N-OD1 3.12Å; T266-N447 PolarHBondContact O-ND2 3.43Å; H445-N447 PolarHBondContact O-N 2.85Å
448	G	60.2	Low	46.9	Very low	22 Å²	22	105.5 Å²	105.5	23%	0.227	58%	0.58	C	S	.	*	T	Hydrogen-bonded Turn	trans	96.3	20.5	-173.9	0	0	0	0	0	116.2	I263 L446	I263-G448 WeakPolarHBondContact CG2-O 3.3Å; L446-G448 PolarHBondContact O-N 2.77Å
449	A	64.1	Low	48.2	Very low	53 Å²	53	102.5 Å²	102.5	44%	0.438	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-56.1	147.2	163.6	0	0	0	0	0	110.9	L446 C451	L446-A449 PolarHBondContact O-N 2.82Å; A449-C451 PolarHBondContact O-N 2.96Å
450	P	60.3	Low	49.2	Very low	86 Å²	86	96.9 Å²	96.9	56%	0.558	53%	0.532	S	S	*	.	B	Isolated β-bridge	trans	-57.3	127.1	176.1	-19.3	30.1	0	0	0	109.9
451	C	53.2	Low	50.3	Low	33 Å²	33	91.3 Å²	91.3	22%	0.223	51%	0.51	C	S	.	.	P	Polyproline II helix	trans	-100.8	128.2	178.8	-71.2	0	0	0	0	110.6	K262 I264 A449 E455	K262-C451 PolarHBondContact O-N 3.41Å; I264-C451 HydrophobicContact CD1-CB 3.73Å; I264-C451 HydrophobicContact CG1-CB 3.94Å; A449-C451 PolarHBondContact O-N 2.96Å; C451-E455 WeakPolarHBondContact CA-OE2 3.31Å
452	S	54.8	Low	51.2	Low	60 Å²	60	92.3 Å²	92.3	42%	0.42	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-76.7	161.3	170.6	67.4	0	0	0	0	111.7	D454 E455 E456	S452-D454 PolarHBondContact O-N 2.93Å; S452-E455 PolarHBondContact N-OE2 3.3Å; S452-E455 PolarHBondContact O-N 2.9Å; S452-E455 WeakPolarHBondContact OG-CG 3.37Å; S452-E455 PolarHBondContact OG-N 3.49Å; S452-E455 PolarHBondContact OG-OE2 2.95Å; S452-E456 PolarHBondContact O-N 3.03Å; S452-E456 VanDerWaalsContact O-N 3.12Å
453	I	53.2	Low	52.3	Low	108 Å²	108	88.6 Å²	88.6	55%	0.554	47%	0.473	S	S	*	.	H	α-helix	trans	-59.7	-30.1	177.5	-65.1	170.9	0	0	0	111.5	K457	I453-K457 PolarHBondContact O-N 3.12Å
454	D	47.8	Very low	52.9	Low	116 Å²	116	88.7 Å²	88.7	62%	0.62	46%	0.457	S	S	*	.	H	α-helix	trans	-77.4	-35.6	-179.7	-64.7	-38.9	0	0	0	112	S452 K457 E458	S452-D454 PolarHBondContact O-N 2.93Å; D454-K457 PolarHBondContact O-N 2.92Å; D454-E458 WeakPolarHBondContact O-CB 3.46Å; D454-E458 PolarHBondContact O-N 3.44Å
455	E	56.7	Low	53.2	Low	88 Å²	88	86.7 Å²	86.7	41%	0.411	45%	0.454	S	S	.	.	H	α-helix	trans	-68.1	-34.8	172.2	-73	171	143.8	0	0	112.3	C451 S452 K457 E458 L459	C451-E455 WeakPolarHBondContact CA-OE2 3.31Å; S452-E455 PolarHBondContact N-OE2 3.3Å; S452-E455 PolarHBondContact O-N 2.9Å; S452-E455 WeakPolarHBondContact OG-CG 3.37Å; S452-E455 PolarHBondContact OG-N 3.49Å; S452-E455 PolarHBondContact OG-OE2 2.95Å; E455-K457 VanDerWaalsContact C-N 3.34Å; E455-K457 PolarHBondContact O-N 3.2Å; E455-E458 PolarHBondContact O-N 2.86Å; E455-L459 WeakPolarHBondContact O-CB 3.3Å; E455-L459 VanDerWaalsContact O-CG 3.31Å; E455-L459 WeakPolarHBondContact O-CG 3.42Å; E455-L459 PolarHBondContact O-N 3.01Å
456	E	54.6	Low	53.4	Low	53 Å²	53	85.9 Å²	85.9	25%	0.248	45%	0.451	C	S	.	.	H	α-helix	trans	-60	-44.9	172.4	-175.1	175.3	-174.1	0	0	110.8	Y254 S452 E460	Y254-E456 HydrophobicContact CE1-CG 4.15Å; S452-E456 PolarHBondContact O-N 3.03Å; S452-E456 VanDerWaalsContact O-N 3.12Å; E456-E460 WeakPolarHBondContact O-CB 3.35Å; E456-E460 VanDerWaalsContact O-CG 3.27Å; E456-E460 WeakPolarHBondContact O-CG 3.2Å; E456-E460 PolarHBondContact O-N 2.98Å; E456-E460 VanDerWaalsContact O-N 3.11Å
457	K	52	Low	52.6	Low	127 Å²	127	82.1 Å²	82.1	55%	0.552	45%	0.445	S	S	*	.	H	α-helix	trans	-68.4	-35.5	175.5	-73.2	177.1	-177.1	169.3	0	112.7	I453 D454 E455 E460 A461	I453-K457 PolarHBondContact O-N 3.12Å; D454-K457 PolarHBondContact O-N 2.92Å; E455-K457 VanDerWaalsContact C-N 3.34Å; E455-K457 PolarHBondContact O-N 3.2Å; K457-E460 PolarHBondContact O-N 2.69Å; K457-A461 WeakPolarHBondContact O-CB 3.49Å; K457-A461 PolarHBondContact O-N 2.9Å
458	E	53.4	Low	50.9	Low	94 Å²	94	87.8 Å²	87.8	44%	0.439	48%	0.475	S	S	.	.	H	α-helix	trans	-72	-39.1	-179.9	-157.8	-172.6	160.1	0	0	112	D454 E455 E460 A461 R462	D454-E458 WeakPolarHBondContact O-CB 3.46Å; D454-E458 PolarHBondContact O-N 3.44Å; E455-E458 PolarHBondContact O-N 2.86Å; E458-E460 VanDerWaalsContact C-N 3.34Å; E458-A461 PolarHBondContact O-N 2.88Å; E458-R462 WeakPolarHBondContact O-CB 3.3Å; E458-R462 VanDerWaalsContact O-CG 3.29Å; E458-R462 WeakPolarHBondContact O-CG 3.37Å; E458-R462 PolarHBondContact O-N 3.12Å; E458-R462 IonicContact OE1-CZ 3.26Å; E458-R462 VanDerWaalsContact OE1-CZ 3.26Å; E458-R462 IonicContact OE1-NE 2.73Å; E458-R462 PolarHBondContact OE1-NE 2.85Å; E458-R462 VanDerWaalsContact OE1-NE 3.09Å; E458-R462 IonicContact OE1-NH2 2.68Å; E458-R462 PolarHBondContact OE1-NH2 3.39Å
459	L	56.2	Low	49.4	Very low	79 Å²	79	97.1 Å²	97.1	41%	0.414	50%	0.503	S	S	.	.	H	α-helix	trans	-62.9	-41.6	171.2	-72.5	169.4	0	0	0	111.1	E455 A461 R462 A463	E455-L459 WeakPolarHBondContact O-CB 3.3Å; E455-L459 VanDerWaalsContact O-CG 3.31Å; E455-L459 WeakPolarHBondContact O-CG 3.42Å; E455-L459 PolarHBondContact O-N 3.01Å; L459-A461 VanDerWaalsContact C-N 3.31Å; L459-A461 PolarHBondContact O-N 3.35Å; L459-R462 PolarHBondContact O-N 3.34Å; L459-A463 WeakPolarHBondContact O-CB 3.45Å; L459-A463 PolarHBondContact O-N 3.44Å
460	E	54.1	Low	48.1	Very low	68 Å²	68	100.5 Å²	100.5	32%	0.318	52%	0.521	S	S	.	.	H	α-helix	trans	-63.1	-35.2	172.7	-73.4	-173.9	168.8	0	0	112.5	K245 N304 E456 K457 E458 L464	K245-E460 IonicContact NZ-OE1 2.68Å; K245-E460 PolarHBondContact NZ-OE1 2.76Å; N304-E460 PolarHBondContact ND2-OE1 2.9Å; N304-E460 PolarHBondContact ND2-OE2 3.27Å; E456-E460 WeakPolarHBondContact O-CB 3.35Å; E456-E460 VanDerWaalsContact O-CG 3.27Å; E456-E460 WeakPolarHBondContact O-CG 3.2Å; E456-E460 PolarHBondContact O-N 2.98Å; E456-E460 VanDerWaalsContact O-N 3.11Å; K457-E460 PolarHBondContact O-N 2.69Å; E458-E460 VanDerWaalsContact C-N 3.34Å; E460-L464 PolarHBondContact O-N 2.93Å
461	A	49.6	Very low	46.7	Very low	48 Å²	48	100.4 Å²	100.4	40%	0.397	54%	0.535	S	S	.	.	H	α-helix	trans	-77.6	-33.5	177.4	0	0	0	0	0	113.6	K457 E458 L459 L464 K465	K457-A461 WeakPolarHBondContact O-CB 3.49Å; K457-A461 PolarHBondContact O-N 2.9Å; E458-A461 PolarHBondContact O-N 2.88Å; L459-A461 VanDerWaalsContact C-N 3.31Å; L459-A461 PolarHBondContact O-N 3.35Å; A461-L464 WeakPolarHBondContact O-CB 3.4Å; A461-L464 PolarHBondContact O-N 3.31Å; A461-K465 PolarHBondContact O-N 2.83Å
462	R	50.4	Low	45.7	Very low	148 Å²	148	110.5 Å²	110.5	56%	0.558	57%	0.569	S	S	*	*	H	α-helix	trans	-69.8	-41.2	175.6	-75	176.7	-176.5	-164.7	3.8	111.1	E458 L459 L464 K465 E466	E458-R462 WeakPolarHBondContact O-CB 3.3Å; E458-R462 VanDerWaalsContact O-CG 3.29Å; E458-R462 WeakPolarHBondContact O-CG 3.37Å; E458-R462 PolarHBondContact O-N 3.12Å; E458-R462 IonicContact OE1-CZ 3.26Å; E458-R462 VanDerWaalsContact OE1-CZ 3.26Å; E458-R462 IonicContact OE1-NE 2.73Å; E458-R462 PolarHBondContact OE1-NE 2.85Å; E458-R462 VanDerWaalsContact OE1-NE 3.09Å; E458-R462 IonicContact OE1-NH2 2.68Å; E458-R462 PolarHBondContact OE1-NH2 3.39Å; L459-R462 PolarHBondContact O-N 3.34Å; R462-L464 VanDerWaalsContact C-N 3.28Å; R462-L464 PolarHBondContact O-N 2.97Å; R462-K465 PolarHBondContact O-N 2.92Å; R462-E466 PolarHBondContact O-N 2.93Å; R462-E466 VanDerWaalsContact O-N 3.15Å
463	A	49.5	Very low	44.6	Very low	21 Å²	21	117.9 Å²	117.9	17%	0.174	59%	0.593	C	S	.	*	H	α-helix	trans	-54.7	-42.5	170.5	0	0	0	0	0	112.8	E247 L459 K465 E466	E247-A463 WeakPolarHBondContact OE2-CB 3.33Å; L459-A463 WeakPolarHBondContact O-CB 3.45Å; L459-A463 PolarHBondContact O-N 3.44Å; A463-K465 PolarHBondContact O-N 3.36Å; A463-E466 PolarHBondContact O-N 3.17Å
464	L	42.9	Very low	43.6	Very low	115 Å²	115	117.2 Å²	117.2	60%	0.602	60%	0.603	S	S	*	*	H	α-helix	trans	-61	-27.6	177.1	-146.6	102	0	0	0	113.3	L305 E460 A461 R462	L305-L464 HydrophobicContact CD1-CD1 3.83Å; L305-L464 HydrophobicContact CD2-CD1 4.37Å; E460-L464 PolarHBondContact O-N 2.93Å; A461-L464 WeakPolarHBondContact O-CB 3.4Å; A461-L464 PolarHBondContact O-N 3.31Å; R462-L464 VanDerWaalsContact C-N 3.28Å; R462-L464 PolarHBondContact O-N 2.97Å
465	K	42.8	Very low	43.2	Very low	162 Å²	162	117.9 Å²	117.9	70%	0.704	61%	0.614	S	S	*	*	H	α-helix	trans	-91.3	-29	-176.6	-71.4	-179.6	179.5	177.9	0	113.5	A461 R462 A463 L468	A461-K465 PolarHBondContact O-N 2.83Å; R462-K465 PolarHBondContact O-N 2.92Å; A463-K465 PolarHBondContact O-N 3.36Å; K465-L468 PolarHBondContact O-N 3.44Å
466	E	41.9	Very low	42	Very low	155 Å²	155	125.1 Å²	125.1	72%	0.724	64%	0.638	S	S	*	*	H	α-helix	trans	-75.2	-22.9	179.2	-78.1	-166.7	150.2	0	0	113.7	R462 A463 L468	R462-E466 PolarHBondContact O-N 2.93Å; R462-E466 VanDerWaalsContact O-N 3.15Å; A463-E466 PolarHBondContact O-N 3.17Å; E466-L468 PolarHBondContact O-N 2.74Å; E466-L468 VanDerWaalsContact O-N 3.15Å
467	G	37.8	Very low	40.7	Very low	60 Å²	60	129.7 Å²	129.7	62%	0.619	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	0.2	172.1	0	0	0	0	0	115.4
468	L	32.7	Very low	39.7	Very low	147 Å²	147	130 Å²	130	77%	0.77	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.2	52.8	-175.9	-158.1	76.8	0	0	0	111.9	K465 E466	K465-L468 PolarHBondContact O-N 3.44Å; E466-L468 PolarHBondContact O-N 2.74Å; E466-L468 VanDerWaalsContact O-N 3.15Å
469	R	30.4	Very low	38.5	Very low	218 Å²	218	136.6 Å²	136.6	82%	0.823	70%	0.703	S	S	*	*			trans	-119	108	165.1	-77	-171.7	177.6	-173.8	1.6	110.8
470	P	35.1	Very low	37.2	Very low	125 Å²	125	138.2 Å²	138.2	81%	0.812	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-74.3	126.3	165.4	20.1	-13.6	0	0	0	109.5	R472	P470-R472 PolarHBondContact O-N 2.91Å
471	G	30.9	Very low	36.2	Very low	83 Å²	83	146.5 Å²	146.5	86%	0.856	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-64	128.2	-179.9	0	0	0	0	0	112.6
472	R	33.6	Very low	35.7	Very low	246 Å²	246	149.7 Å²	149.7	93%	0.928	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-81	121.4	166.3	-82.5	178.8	170.2	178.9	-2.7	109.9	P470	P470-R472 PolarHBondContact O-N 2.91Å
473	K	31.9	Very low	35.4	Very low	215 Å²	215	147.7 Å²	147.7	94%	0.935	77%	0.774	S	S	*	*			trans	-148.2	130	142.3	-74.2	-164.5	178.4	177.2	0	109.9
474	A	31.7	Very low	34.9	Very low	93 Å²	93	153.8 Å²	153.8	77%	0.769	80%	0.799	S	S	*	*			trans	-123.9	155.6	158.1	0	0	0	0	0	107.1
475	P	39.3	Very low	35.1	Very low	131 Å²	131	151.4 Å²	151.4	85%	0.851	80%	0.802	S	S	*	*				-137.8	162.6	104.4	32.5	-16.6	0	0	0	114.9
476	R	30.6	Very low	35.4	Very low	239 Å²	239	146.8 Å²	146.8	90%	0.902	79%	0.794	S	S	*	*			trans	-62.1	148.6	-172.4	-74.9	166.5	143	160.3	-7.5	115
477	T	28.6	Very low	36	Very low	150 Å²	150	143.9 Å²	143.9	92%	0.92	78%	0.784	S	S	*	*			trans	-142.5	148.1	139.9	6	0	0	0	0	110.1
478	V	29.7	Very low	36.9	Very low	132 Å²	132	145.9 Å²	145.9	80%	0.8	78%	0.783	S	S	*	*			trans	-92.4	139.2	-164.4	171.8	0	0	0	0	110.7
479	R	29.6	Very low	38.2	Very low	234 Å²	234	144.8 Å²	144.8	88%	0.883	78%	0.775	S	S	*	*				139.3	141.3	123.1	-146.9	167.8	178.9	169.9	-2.1	114.3
480	S	28.1	Very low	39.6	Very low	112 Å²	112	138.7 Å²	138.7	78%	0.783	76%	0.758	S	S	*	*			trans	87.3	111.6	158.4	70.5	0	0	0	0	119.1
481	R	33.9	Very low	41.2	Very low	242 Å²	242	138 Å²	138	91%	0.913	75%	0.747	S	S	*	*			trans	-77.8	150.1	153.6	-94.8	179.6	171.8	173.4	-2.9	108.1
482	P	37.7	Very low	43.2	Very low	115 Å²	115	139.2 Å²	139.2	75%	0.747	73%	0.734	S	S	*	*				-136.4	149.8	92.2	30.8	-13.8	0	0	0	115.1
483	S	44.1	Very low	45.1	Very low	106 Å²	106	133.3 Å²	133.3	74%	0.741	72%	0.715	S	S	*	*			trans	36.8	97.1	149.5	61.1	0	0	0	0	120.2
484	Q	40.3	Very low	47.2	Very low	150 Å²	150	129.6 Å²	129.6	70%	0.701	70%	0.699	S	S	*	*			trans	-144.1	91.7	148.9	-76.5	-169.5	-19.6	0	0	109.3
485	G	46.3	Very low	49.5	Very low	64 Å²	64	128.9 Å²	128.9	66%	0.66	69%	0.685	S	S	*	*	S	Bend	trans	-98.4	-9.7	174.1	0	0	0	0	0	113.8
486	A	49.4	Very low	51.3	Low	66 Å²	66	126.7 Å²	126.7	55%	0.545	67%	0.666	S	S	.	*	S	Bend	trans	-93.9	-38.8	-175.6	0	0	0	0	0	113.2	V488 D490	A486-V488 PolarHBondContact O-N 3.34Å; A486-D490 PolarHBondContact O-N 3.38Å
487	D	54.4	Low	53.8	Low	94 Å²	94	118.9 Å²	118.9	50%	0.503	65%	0.648	S	S	.	*	H	α-helix	trans	-70.9	-27.9	-173.6	-74.7	-40.3	0	0	0	114.4	L491	D487-L491 WeakPolarHBondContact O-CB 3.28Å; D487-L491 PolarHBondContact O-N 3.09Å; D487-L491 VanDerWaalsContact O-N 3.09Å
488	V	57	Low	56.5	Low	101 Å²	101	115.2 Å²	115.2	61%	0.612	63%	0.625	S	S	*	*	H	α-helix	trans	-77.8	-35.6	-176.9	-174.8	0	0	0	0	111.6	A486 N492	A486-V488 PolarHBondContact O-N 3.34Å; V488-N492 VanDerWaalsContact O-CB 3.31Å; V488-N492 WeakPolarHBondContact O-CB 3.42Å; V488-N492 PolarHBondContact O-N 2.97Å
489	E	59.2	Low	59.3	Low	125 Å²	125	113.3 Å²	113.3	58%	0.584	61%	0.61	S	S	*	*	H	α-helix	trans	-70.2	-38	176.6	-75.8	-175.4	165.6	0	0	111.6	N492 K493	E489-N492 PolarHBondContact O-N 3.46Å; E489-K493 WeakPolarHBondContact O-CB 3.46Å; E489-K493 WeakPolarHBondContact O-CG 3.43Å; E489-K493 PolarHBondContact O-N 2.92Å
490	D	59.5	Low	62	Low	89 Å²	89	110.1 Å²	110.1	48%	0.476	60%	0.598	S	S	.	*	H	α-helix	trans	-74.1	-35	179.5	-70.7	-16.8	0	0	0	112.1	A486 K493 F494	A486-D490 PolarHBondContact O-N 3.38Å; D490-K493 PolarHBondContact O-N 3.3Å; D490-K493 IonicContact OD1-NZ 3.09Å; D490-K493 PolarHBondContact OD1-NZ 2.92Å; D490-F494 WeakPolarHBondContact O-CB 3.13Å; D490-F494 PolarHBondContact O-N 3.45Å
491	L	69.9	Low	64.9	Low	111 Å²	111	110.3 Å²	110.3	58%	0.581	59%	0.589	S	S	*	*	H	α-helix	trans	-64.8	-40.2	169.9	-171.3	64.5	0	0	0	111.7	D487 F494 V495	D487-L491 WeakPolarHBondContact O-CB 3.28Å; D487-L491 PolarHBondContact O-N 3.09Å; D487-L491 VanDerWaalsContact O-N 3.09Å; L491-F494 PolarHBondContact O-N 3.35Å; L491-V495 WeakPolarHBondContact O-CB 3.42Å; L491-V495 VanDerWaalsContact O-CG2 3.26Å; L491-V495 WeakPolarHBondContact O-CG2 3.39Å; L491-V495 PolarHBondContact O-N 3.27Å
492	N	72.1	Confident	67.5	Low	109 Å²	109	104.6 Å²	104.6	58%	0.583	57%	0.571	S	S	*	*	H	α-helix	trans	-69.4	-37.8	179.2	-152.6	20.8	0	0	0	111.6	V488 E489 V495 L496	V488-N492 VanDerWaalsContact O-CB 3.31Å; V488-N492 WeakPolarHBondContact O-CB 3.42Å; V488-N492 PolarHBondContact O-N 2.97Å; E489-N492 PolarHBondContact O-N 3.46Å; N492-V495 PolarHBondContact O-N 3.49Å; N492-L496 VanDerWaalsContact O-CB 3.31Å; N492-L496 WeakPolarHBondContact O-CB 3.42Å; N492-L496 PolarHBondContact O-N 3.44Å
493	K	73.7	Confident	70	Confident	122 Å²	122	104.1 Å²	104.1	53%	0.53	56%	0.562	S	S	.	*	H	α-helix	trans	-63.4	-41.6	171.5	-71.4	166.9	-161.5	157.6	0	111.7	E489 D490 L496 S497	E489-K493 WeakPolarHBondContact O-CB 3.46Å; E489-K493 WeakPolarHBondContact O-CG 3.43Å; E489-K493 PolarHBondContact O-N 2.92Å; D490-K493 PolarHBondContact O-N 3.3Å; D490-K493 IonicContact OD1-NZ 3.09Å; D490-K493 PolarHBondContact OD1-NZ 2.92Å; K493-L496 PolarHBondContact O-N 3.49Å; K493-S497 WeakPolarHBondContact O-CB 3.4Å; K493-S497 PolarHBondContact O-N 3.28Å
494	F	76.1	Confident	72.2	Confident	136 Å²	136	103.2 Å²	103.2	60%	0.596	55%	0.552	S	S	*	*	H	α-helix	trans	-63.3	-48.3	176.3	-178.8	-99.4	0	0	0	111.6	D490 L491 L496 S497 V498	D490-F494 WeakPolarHBondContact O-CB 3.13Å; D490-F494 PolarHBondContact O-N 3.45Å; L491-F494 PolarHBondContact O-N 3.35Å; F494-L496 VanDerWaalsContact C-N 3.32Å; F494-L496 PolarHBondContact O-N 2.84Å; F494-S497 WeakPolarHBondContact O-CB 3.2Å; F494-S497 PolarHBondContact O-N 2.79Å; F494-S497 VanDerWaalsContact O-N 3.16Å; F494-V498 HydrophobicContact CD1-CG2 4.23Å; F494-V498 HydrophobicContact CE1-CG2 3.85Å; F494-V498 HydrophobicContact CE2-CG2 4.35Å; F494-V498 HydrophobicContact CZ-CG2 3.92Å; F494-V498 WeakPolarHBondContact O-CG2 3.43Å; F494-V498 PolarHBondContact O-N 2.85Å
495	V	79.9	Confident	74.5	Confident	79 Å²	79	98.9 Å²	98.9	48%	0.479	54%	0.536	S	S	.	.	H	α-helix	trans	-60.9	-41.7	177.3	171.5	0	0	0	0	111.2	L491 N492 S497 V498 L499	L491-V495 WeakPolarHBondContact O-CB 3.42Å; L491-V495 VanDerWaalsContact O-CG2 3.26Å; L491-V495 WeakPolarHBondContact O-CG2 3.39Å; L491-V495 PolarHBondContact O-N 3.27Å; N492-V495 PolarHBondContact O-N 3.49Å; V495-S497 VanDerWaalsContact C-N 3.33Å; V495-S497 PolarHBondContact O-N 3.44Å; V495-V498 PolarHBondContact O-N 3.46Å; V495-L499 WeakPolarHBondContact O-CB 3.39Å; V495-L499 PolarHBondContact O-N 2.86Å
496	L	77.8	Confident	76.4	Confident	84 Å²	84	99.6 Å²	99.6	44%	0.44	52%	0.524	S	S	.	.	H	α-helix	trans	-67	-36	177.4	-153.4	77.5	0	0	0	112	N492 K493 F494 R500	N492-L496 VanDerWaalsContact O-CB 3.31Å; N492-L496 WeakPolarHBondContact O-CB 3.42Å; N492-L496 PolarHBondContact O-N 3.44Å; K493-L496 PolarHBondContact O-N 3.49Å; F494-L496 VanDerWaalsContact C-N 3.32Å; F494-L496 PolarHBondContact O-N 2.84Å; L496-R500 WeakPolarHBondContact O-CB 3.43Å; L496-R500 VanDerWaalsContact O-CG 3.27Å; L496-R500 WeakPolarHBondContact O-CG 3.15Å; L496-R500 PolarHBondContact O-N 2.91Å
497	S	81.8	Confident	78.2	Confident	75 Å²	75	98.3 Å²	98.3	52%	0.524	52%	0.517	S	S	.	.	H	α-helix	trans	-66.3	-42.7	174.5	-171	0	0	0	0	111.8	K493 F494 V495 R500 L501	K493-S497 WeakPolarHBondContact O-CB 3.4Å; K493-S497 PolarHBondContact O-N 3.28Å; F494-S497 WeakPolarHBondContact O-CB 3.2Å; F494-S497 PolarHBondContact O-N 2.79Å; F494-S497 VanDerWaalsContact O-N 3.16Å; V495-S497 VanDerWaalsContact C-N 3.33Å; V495-S497 PolarHBondContact O-N 3.44Å; S497-R500 PolarHBondContact O-N 2.72Å; S497-L501 WeakPolarHBondContact O-CB 3.48Å; S497-L501 PolarHBondContact O-N 2.91Å
498	V	86.3	Confident	79.9	Confident	74 Å²	74	99 Å²	99	45%	0.448	52%	0.52	S	S	.	.	H	α-helix	trans	-65.7	-41.7	175.9	173.9	0	0	0	0	111	F494 V495 L501 F502	F494-V498 HydrophobicContact CD1-CG2 4.23Å; F494-V498 HydrophobicContact CE1-CG2 3.85Å; F494-V498 HydrophobicContact CE2-CG2 4.35Å; F494-V498 HydrophobicContact CZ-CG2 3.92Å; F494-V498 WeakPolarHBondContact O-CG2 3.43Å; F494-V498 PolarHBondContact O-N 2.85Å; V495-V498 PolarHBondContact O-N 3.46Å; V498-L501 PolarHBondContact O-N 3.24Å; V498-F502 WeakPolarHBondContact O-CB 3.35Å; V498-F502 PolarHBondContact O-N 3.45Å
499	L	87.8	Confident	81.3	Confident	91 Å²	91	99.9 Å²	99.9	48%	0.476	52%	0.521	S	S	.	.	H	α-helix	trans	-64	-41.2	176.2	-175.7	66.6	0	0	0	111.7	V495 F502 L503	V495-L499 WeakPolarHBondContact O-CB 3.39Å; V495-L499 PolarHBondContact O-N 2.86Å; L499-F502 PolarHBondContact O-N 3.24Å; L499-L503 HydrophobicContact CG-CD1 4.26Å; L499-L503 WeakPolarHBondContact O-CB 3.44Å; L499-L503 VanDerWaalsContact O-CG 3.31Å; L499-L503 WeakPolarHBondContact O-CG 3.38Å; L499-L503 PolarHBondContact O-N 2.9Å
500	R	86.9	Confident	82.4	Confident	167 Å²	167	100 Å²	100	63%	0.63	52%	0.52	S	S	*	.	H	α-helix	trans	-62.4	-45.9	174.2	-78.1	176.2	-175.9	-175.7	2	111.5	L496 S497 F502 L503 V504	L496-R500 WeakPolarHBondContact O-CB 3.43Å; L496-R500 VanDerWaalsContact O-CG 3.27Å; L496-R500 WeakPolarHBondContact O-CG 3.15Å; L496-R500 PolarHBondContact O-N 2.91Å; S497-R500 PolarHBondContact O-N 2.72Å; R500-F502 VanDerWaalsContact C-N 3.3Å; R500-F502 PolarHBondContact O-N 3.38Å; R500-L503 PolarHBondContact O-N 3.34Å; R500-V504 WeakPolarHBondContact O-CB 3.47Å; R500-V504 VanDerWaalsContact O-CG2 3.26Å; R500-V504 WeakPolarHBondContact O-CG2 3.29Å; R500-V504 PolarHBondContact O-N 3.05Å
501	L	89.1	Confident	83.5	Confident	116 Å²	116	98.5 Å²	98.5	61%	0.607	52%	0.519	S	S	*	.	H	α-helix	trans	-59.5	-45.1	176.2	-174.7	66.7	0	0	0	110.7	S497 V498 L503 V504 T505	S497-L501 WeakPolarHBondContact O-CB 3.48Å; S497-L501 PolarHBondContact O-N 2.91Å; V498-L501 PolarHBondContact O-N 3.24Å; L501-L503 PolarHBondContact O-N 2.89Å; L501-V504 PolarHBondContact O-N 3.25Å; L501-T505 HydrophobicContact CG-CG2 4.47Å; L501-T505 WeakPolarHBondContact O-CG2 3.27Å; L501-T505 PolarHBondContact O-N 3.05Å; L501-T505 PolarHBondContact O-OG1 2.84Å
502	F	88.6	Confident	84.1	Confident	122 Å²	122	98.2 Å²	98.2	54%	0.535	52%	0.518	S	S	.	.	H	α-helix	trans	-60.2	-46.9	177.3	-172.3	-108.1	0	0	0	112.1	V498 L499 R500 V504 T505 I506	V498-F502 WeakPolarHBondContact O-CB 3.35Å; V498-F502 PolarHBondContact O-N 3.45Å; L499-F502 PolarHBondContact O-N 3.24Å; R500-F502 VanDerWaalsContact C-N 3.3Å; R500-F502 PolarHBondContact O-N 3.38Å; F502-V504 PolarHBondContact O-N 3.49Å; F502-T505 WeakPolarHBondContact CA-OG1 3.44Å; F502-T505 PolarHBondContact O-N 3.04Å; F502-T505 PolarHBondContact O-OG1 3.36Å; F502-I506 HydrophobicContact CD1-CD1 3.68Å; F502-I506 HydrophobicContact CE1-CD1 3.22Å; F502-I506 HydrophobicContact CE1-CG1 4.33Å; F502-I506 HydrophobicContact CE2-CD1 4.26Å; F502-I506 HydrophobicContact CG-CD1 4.38Å; F502-I506 HydrophobicContact CZ-CD1 3.56Å; F502-I506 HydrophobicContact CZ-CG1 4.39Å; F502-I506 WeakPolarHBondContact O-CG1 3.37Å; F502-I506 PolarHBondContact O-N 2.93Å
503	L	89	Confident	84.5	Confident	105 Å²	105	97 Å²	97	55%	0.55	51%	0.511	S	S	.	.	H	α-helix	trans	-62.6	-40.4	176.4	-72.6	171	0	0	0	112.4	L499 R500 L501 I506 G507	L499-L503 HydrophobicContact CG-CD1 4.26Å; L499-L503 WeakPolarHBondContact O-CB 3.44Å; L499-L503 VanDerWaalsContact O-CG 3.31Å; L499-L503 WeakPolarHBondContact O-CG 3.38Å; L499-L503 PolarHBondContact O-N 2.9Å; R500-L503 PolarHBondContact O-N 3.34Å; L501-L503 PolarHBondContact O-N 2.89Å; L503-I506 PolarHBondContact O-N 3.45Å; L503-G507 PolarHBondContact O-N 2.88Å
504	V	92.1	Very high	84.7	Confident	87 Å²	87	95.1 Å²	95.1	53%	0.527	51%	0.506	S	S	.	.	H	α-helix	trans	-64.6	-43	175	170.6	0	0	0	0	110.7	R500 L501 F502 I506 G507 L508	R500-V504 WeakPolarHBondContact O-CB 3.47Å; R500-V504 VanDerWaalsContact O-CG2 3.26Å; R500-V504 WeakPolarHBondContact O-CG2 3.29Å; R500-V504 PolarHBondContact O-N 3.05Å; L501-V504 PolarHBondContact O-N 3.25Å; F502-V504 PolarHBondContact O-N 3.49Å; V504-I506 PolarHBondContact O-N 2.87Å; V504-G507 PolarHBondContact O-N 3.44Å; V504-L508 HydrophobicContact CG1-CD1 4.06Å; V504-L508 WeakPolarHBondContact O-CB 3.27Å; V504-L508 PolarHBondContact O-N 3.34Å
505	T	86.6	Confident	84.9	Confident	60 Å²	60	93.7 Å²	93.7	37%	0.368	50%	0.504	S	S	.	.	H	α-helix	trans	-65.1	-39.1	177.5	62	0	0	0	0	112.6	L501 F502 L508 L509	L501-T505 HydrophobicContact CG-CG2 4.47Å; L501-T505 WeakPolarHBondContact O-CG2 3.27Å; L501-T505 PolarHBondContact O-N 3.05Å; L501-T505 PolarHBondContact O-OG1 2.84Å; F502-T505 WeakPolarHBondContact CA-OG1 3.44Å; F502-T505 PolarHBondContact O-N 3.04Å; F502-T505 PolarHBondContact O-OG1 3.36Å; T505-L508 PolarHBondContact O-N 3.24Å; T505-L509 WeakPolarHBondContact O-CB 3.36Å; T505-L509 WeakPolarHBondContact O-CG 3.38Å; T505-L509 PolarHBondContact O-N 2.86Å
506	I	86.6	Confident	84.7	Confident	79 Å²	79	93.8 Å²	93.8	41%	0.405	50%	0.502	S	S	.	.	H	α-helix	trans	-65.2	-43.9	173.8	-73	175.6	0	0	0	110.4	F502 L503 V504 L508 L509 F510	F502-I506 HydrophobicContact CD1-CD1 3.68Å; F502-I506 HydrophobicContact CE1-CD1 3.22Å; F502-I506 HydrophobicContact CE1-CG1 4.33Å; F502-I506 HydrophobicContact CE2-CD1 4.26Å; F502-I506 HydrophobicContact CG-CD1 4.38Å; F502-I506 HydrophobicContact CZ-CD1 3.56Å; F502-I506 HydrophobicContact CZ-CG1 4.39Å; F502-I506 WeakPolarHBondContact O-CG1 3.37Å; F502-I506 PolarHBondContact O-N 2.93Å; L503-I506 PolarHBondContact O-N 3.45Å; V504-I506 PolarHBondContact O-N 2.87Å; I506-L508 PolarHBondContact O-N 3.3Å; I506-L509 PolarHBondContact O-N 3.14Å; I506-F510 WeakPolarHBondContact O-CB 3.45Å; I506-F510 PolarHBondContact O-N 3.07Å
507	G	88.5	Confident	84.5	Confident	39 Å²	39	90.9 Å²	90.9	40%	0.402	49%	0.486	S	S	.	.	H	α-helix	trans	-60.8	-43.7	176.8	0	0	0	0	0	112.4	L503 V504 F510 A511	L503-G507 PolarHBondContact O-N 2.88Å; V504-G507 PolarHBondContact O-N 3.44Å; G507-F510 PolarHBondContact O-N 2.81Å; G507-A511 WeakPolarHBondContact O-CB 3.49Å; G507-A511 PolarHBondContact O-N 3.32Å
508	L	90.3	Very high	84.2	Confident	108 Å²	108	93.2 Å²	93.2	57%	0.565	49%	0.49	S	S	*	.	H	α-helix	trans	-62.6	-47.3	174.5	-103.8	149.8	0	0	0	111.8	V504 T505 I506 F510 A511 L512	V504-L508 HydrophobicContact CG1-CD1 4.06Å; V504-L508 WeakPolarHBondContact O-CB 3.27Å; V504-L508 PolarHBondContact O-N 3.34Å; T505-L508 PolarHBondContact O-N 3.24Å; I506-L508 PolarHBondContact O-N 3.3Å; L508-F510 VanDerWaalsContact C-N 3.28Å; L508-F510 PolarHBondContact O-N 3.27Å; L508-A511 PolarHBondContact O-N 3Å; L508-L512 VanDerWaalsContact O-CB 3.3Å; L508-L512 WeakPolarHBondContact O-CB 3.46Å; L508-L512 PolarHBondContact O-N 2.83Å
509	L	86.4	Confident	83.6	Confident	120 Å²	120	92.7 Å²	92.7	63%	0.628	49%	0.485	S	S	*	.	H	α-helix	trans	-59.4	-40.3	176.1	-82.2	163.2	0	0	0	111.7	T505 I506 L512 L513	T505-L509 WeakPolarHBondContact O-CB 3.36Å; T505-L509 WeakPolarHBondContact O-CG 3.38Å; T505-L509 PolarHBondContact O-N 2.86Å; I506-L509 PolarHBondContact O-N 3.14Å; L509-L512 PolarHBondContact O-N 3.25Å; L509-L513 VanDerWaalsContact O-CB 3.27Å; L509-L513 WeakPolarHBondContact O-CB 3.28Å; L509-L513 PolarHBondContact O-N 3.24Å
510	F	82.3	Confident	82.5	Confident	128 Å²	128	88.7 Å²	88.7	56%	0.561	46%	0.464	S	S	*	.	H	α-helix	trans	-67.4	-42.4	177	-169.2	-102.9	0	0	0	111.9	I506 G507 L508 L512 L513 L514	I506-F510 WeakPolarHBondContact O-CB 3.45Å; I506-F510 PolarHBondContact O-N 3.07Å; G507-F510 PolarHBondContact O-N 2.81Å; L508-F510 VanDerWaalsContact C-N 3.28Å; L508-F510 PolarHBondContact O-N 3.27Å; F510-L512 VanDerWaalsContact C-N 3.35Å; F510-L513 PolarHBondContact O-N 2.74Å; F510-L514 HydrophobicContact CD1-CD1 3.84Å; F510-L514 HydrophobicContact CD1-CG 4.37Å; F510-L514 HydrophobicContact CE1-CD1 3.5Å; F510-L514 HydrophobicContact CE1-CG 4.13Å; F510-L514 HydrophobicContact CZ-CD1 4.2Å; F510-L514 HydrophobicContact CZ-CG 4.44Å; F510-L514 WeakPolarHBondContact O-CG 3.41Å; F510-L514 PolarHBondContact O-N 3.5Å
511	A	82.1	Confident	81.7	Confident	56 Å²	56	84 Å²	84	46%	0.463	45%	0.449	S	S	.	.	H	α-helix	trans	-63.5	-40.7	174.7	0	0	0	0	0	112	G507 L508 L514 L515	G507-A511 WeakPolarHBondContact O-CB 3.49Å; G507-A511 PolarHBondContact O-N 3.32Å; L508-A511 PolarHBondContact O-N 3Å; A511-L514 PolarHBondContact O-N 3.21Å; A511-L515 WeakPolarHBondContact O-CB 3.44Å; A511-L515 PolarHBondContact O-N 2.98Å
512	L	82.9	Confident	80.7	Confident	106 Å²	106	80.1 Å²	80.1	56%	0.555	43%	0.432	S	S	*	.	H	α-helix	trans	-69.3	-37.2	178.6	-142.4	152.2	0	0	0	111.2	L508 L509 F510 L515 L516	L508-L512 VanDerWaalsContact O-CB 3.3Å; L508-L512 WeakPolarHBondContact O-CB 3.46Å; L508-L512 PolarHBondContact O-N 2.83Å; L509-L512 PolarHBondContact O-N 3.25Å; F510-L512 VanDerWaalsContact C-N 3.35Å; L512-L515 PolarHBondContact O-N 2.9Å; L512-L516 VanDerWaalsContact O-CB 3.31Å; L512-L516 WeakPolarHBondContact O-CB 3.21Å; L512-L516 PolarHBondContact O-N 3.09Å
513	L	80.2	Confident	79.5	Confident	84 Å²	84	82.2 Å²	82.2	44%	0.44	45%	0.449	S	S	.	.	H	α-helix	trans	-63.3	-46.2	171.7	-178.9	67.2	0	0	0	111.3	L509 F510 L516 I517	L509-L513 VanDerWaalsContact O-CB 3.27Å; L509-L513 WeakPolarHBondContact O-CB 3.28Å; L509-L513 PolarHBondContact O-N 3.24Å; F510-L513 PolarHBondContact O-N 2.74Å; L513-L516 PolarHBondContact O-N 2.9Å; L513-I517 HydrophobicContact CD1-CD1 4.3Å; L513-I517 HydrophobicContact CG-CD1 3.99Å; L513-I517 WeakPolarHBondContact O-CB 3.36Å; L513-I517 WeakPolarHBondContact O-CD1 3.39Å; L513-I517 WeakPolarHBondContact O-CG1 3.49Å; L513-I517 PolarHBondContact O-N 3.33Å
514	L	78.4	Confident	78.5	Confident	82 Å²	82	81.1 Å²	81.1	43%	0.429	44%	0.443	S	S	.	.	H	α-helix	trans	-63.1	-41.7	175.7	-73	176.7	0	0	0	111.9	F510 A511 I517 M518	F510-L514 HydrophobicContact CD1-CD1 3.84Å; F510-L514 HydrophobicContact CD1-CG 4.37Å; F510-L514 HydrophobicContact CE1-CD1 3.5Å; F510-L514 HydrophobicContact CE1-CG 4.13Å; F510-L514 HydrophobicContact CZ-CD1 4.2Å; F510-L514 HydrophobicContact CZ-CG 4.44Å; F510-L514 WeakPolarHBondContact O-CG 3.41Å; F510-L514 PolarHBondContact O-N 3.5Å; A511-L514 PolarHBondContact O-N 3.21Å; L514-I517 PolarHBondContact O-N 3.36Å; L514-M518 VanDerWaalsContact O-CG 3.28Å; L514-M518 WeakPolarHBondContact O-CG 3.35Å; L514-M518 PolarHBondContact O-N 2.93Å
515	L	78.8	Confident	77	Confident	105 Å²	105	83.2 Å²	83.2	55%	0.55	45%	0.451	S	S	.	.	H	α-helix	trans	-61.3	-45.4	175.1	-171.3	84	0	0	0	111.3	A511 L512 I517 M518 L519	A511-L515 WeakPolarHBondContact O-CB 3.44Å; A511-L515 PolarHBondContact O-N 2.98Å; L512-L515 PolarHBondContact O-N 2.9Å; L515-I517 VanDerWaalsContact C-N 3.3Å; L515-I517 PolarHBondContact O-N 2.9Å; L515-M518 PolarHBondContact O-N 3.38Å; L515-L519 HydrophobicContact CD2-CD1 4.29Å; L515-L519 HydrophobicContact CG-CD1 4.09Å; L515-L519 WeakPolarHBondContact O-CB 3.36Å; L515-L519 VanDerWaalsContact O-CG 3.3Å; L515-L519 WeakPolarHBondContact O-CG 3.26Å; L515-L519 PolarHBondContact O-N 3.4Å
516	L	77.3	Confident	76.4	Confident	82 Å²	82	84.5 Å²	84.5	43%	0.429	46%	0.455	S	S	.	.	H	α-helix	trans	-60.7	-43	177.3	-174.9	68.3	0	0	0	110.8	L512 L513 L519 T520	L512-L516 VanDerWaalsContact O-CB 3.31Å; L512-L516 WeakPolarHBondContact O-CB 3.21Å; L512-L516 PolarHBondContact O-N 3.09Å; L513-L516 PolarHBondContact O-N 2.9Å; L516-L519 PolarHBondContact O-N 3.16Å; L516-T520 WeakPolarHBondContact O-CG2 3.26Å; L516-T520 PolarHBondContact O-N 2.88Å; L516-T520 PolarHBondContact O-OG1 2.87Å; L516-T520 VanDerWaalsContact O-OG1 3.12Å
517	I	73.5	Confident	75.7	Confident	22 Å²	22	83.5 Å²	83.5	11%	0.113	46%	0.459	C	S	.	.	H	α-helix	trans	-63	-46.1	176.7	-68.8	164.2	0	0	0	111.1	L513 L514 L515 L519 T520 E521 F546	L513-I517 HydrophobicContact CD1-CD1 4.3Å; L513-I517 HydrophobicContact CG-CD1 3.99Å; L513-I517 WeakPolarHBondContact O-CB 3.36Å; L513-I517 WeakPolarHBondContact O-CD1 3.39Å; L513-I517 WeakPolarHBondContact O-CG1 3.49Å; L513-I517 PolarHBondContact O-N 3.33Å; L514-I517 PolarHBondContact O-N 3.36Å; L515-I517 VanDerWaalsContact C-N 3.3Å; L515-I517 PolarHBondContact O-N 2.9Å; I517-L519 VanDerWaalsContact C-N 3.34Å; I517-L519 PolarHBondContact O-N 3.49Å; I517-T520 VanDerWaalsContact CA-OG1 3.3Å; I517-T520 WeakPolarHBondContact CA-OG1 3.5Å; I517-T520 PolarHBondContact O-N 3.44Å; I517-T520 VanDerWaalsContact O-N 3.17Å; I517-T520 PolarHBondContact O-OG1 2.9Å; I517-E521 PolarHBondContact O-N 3.15Å; I517-F546 HydrophobicContact CD1-CD2 4.38Å; I517-F546 HydrophobicContact CD1-CE2 4.34Å; I517-F546 HydrophobicContact CG2-CD2 3.96Å; I517-F546 HydrophobicContact CG2-CE1 4.01Å; I517-F546 HydrophobicContact CG2-CE2 3.34Å; I517-F546 HydrophobicContact CG2-CZ 3.34Å
518	M	74.4	Confident	75.1	Confident	125 Å²	125	88.5 Å²	88.5	62%	0.616	47%	0.47	S	S	*	.	H	α-helix	trans	-61.4	-40.4	176.4	-70.9	-59.9	-62.5	0	0	112.2	L514 L515 E521 S522	L514-M518 VanDerWaalsContact O-CG 3.28Å; L514-M518 WeakPolarHBondContact O-CG 3.35Å; L514-M518 PolarHBondContact O-N 2.93Å; L515-M518 PolarHBondContact O-N 3.38Å; M518-E521 PolarHBondContact O-N 3.42Å; M518-S522 WeakPolarHBondContact O-CB 3.47Å; M518-S522 PolarHBondContact O-N 2.88Å
519	L	73.1	Confident	74.2	Confident	63 Å²	63	84 Å²	84	33%	0.33	45%	0.446	S	S	.	.	H	α-helix	trans	-65.1	-39.1	174.6	-74.6	166.7	0	0	0	111.5	L515 L516 I517 S522 L524 L529	L515-L519 HydrophobicContact CD2-CD1 4.29Å; L515-L519 HydrophobicContact CG-CD1 4.09Å; L515-L519 WeakPolarHBondContact O-CB 3.36Å; L515-L519 VanDerWaalsContact O-CG 3.3Å; L515-L519 WeakPolarHBondContact O-CG 3.26Å; L515-L519 PolarHBondContact O-N 3.4Å; L516-L519 PolarHBondContact O-N 3.16Å; I517-L519 VanDerWaalsContact C-N 3.34Å; I517-L519 PolarHBondContact O-N 3.49Å; L519-S522 PolarHBondContact O-N 3.31Å; L519-S522 PolarHBondContact O-OG 2.89Å; L519-L524 HydrophobicContact CD2-CD1 4Å; L519-L529 HydrophobicContact CB-CD1 4.33Å
520	T	66.1	Low	73.3	Confident	7 Å²	7	83.5 Å²	83.5	4%	0.043	44%	0.435	C	S	.	.	H	α-helix	trans	-71	-28.1	176.4	54.3	0	0	0	0	113.6	L516 I517 L529 R533 F538	L516-T520 WeakPolarHBondContact O-CG2 3.26Å; L516-T520 PolarHBondContact O-N 2.88Å; L516-T520 PolarHBondContact O-OG1 2.87Å; L516-T520 VanDerWaalsContact O-OG1 3.12Å; I517-T520 VanDerWaalsContact CA-OG1 3.3Å; I517-T520 WeakPolarHBondContact CA-OG1 3.5Å; I517-T520 PolarHBondContact O-N 3.44Å; I517-T520 VanDerWaalsContact O-N 3.17Å; I517-T520 PolarHBondContact O-OG1 2.9Å; T520-L529 HydrophobicContact CG2-CD2 4.11Å; T520-R533 PolarHBondContact O-NE 3.35Å; T520-F538 HydrophobicContact CG2-CE2 4.03Å; T520-F538 HydrophobicContact CG2-CZ 3.99Å; T520-F538 WeakPolarHBondContact OG1-CZ 3.46Å
521	E	68.6	Low	73	Confident	67 Å²	67	81.9 Å²	81.9	31%	0.313	43%	0.433	S	S	.	.	H	α-helix	trans	-83	-24.4	172.4	-84.7	-144.5	160.3	0	0	113.7	I517 M518 H542 F546 R550	I517-E521 PolarHBondContact O-N 3.15Å; M518-E521 PolarHBondContact O-N 3.42Å; E521-H542 IonicContact OE1-CE1 3.04Å; E521-H542 PolarHBondContact OE1-CE1 3Å; E521-H542 IonicContact OE1-NE2 2.68Å; E521-F546 HydrophobicContact CG-CE1 4.37Å; E521-F546 WeakPolarHBondContact OE1-CE1 3.31Å; E521-R550 VanDerWaalsContact CD-NH1 3.34Å; E521-R550 IonicContact OE1-NH1 3.77Å; E521-R550 PolarHBondContact OE1-NH1 3.09Å; E521-R550 IonicContact OE2-CZ 3.43Å; E521-R550 IonicContact OE2-NH1 3.76Å; E521-R550 PolarHBondContact OE2-NH1 2.68Å
522	S	69	Low	72.6	Confident	35 Å²	35	81.5 Å²	81.5	25%	0.245	42%	0.423	C	S	.	.	S	Bend	trans	-65.2	141.7	178.2	66.4	0	0	0	0	111.6	M518 L519 L524 R533	M518-S522 WeakPolarHBondContact O-CB 3.47Å; M518-S522 PolarHBondContact O-N 2.88Å; L519-S522 PolarHBondContact O-N 3.31Å; L519-S522 PolarHBondContact O-OG 2.89Å; S522-L524 PolarHBondContact O-N 3.41Å; S522-L524 VanDerWaalsContact OG-CD1 3.29Å; S522-L524 WeakPolarHBondContact OG-CD1 3.47Å; S522-L524 WeakPolarHBondContact OG-CG 3.31Å; S522-R533 PolarHBondContact O-NH2 2.88Å
523	D	62.5	Low	72.2	Confident	166 Å²	166	79.7 Å²	79.7	89%	0.888	41%	0.408	S	S	*	.			trans	-69.3	25.8	174.1	-71.6	-42.6	0	0	0	113.2	D525	D523-D525 PolarHBondContact O-N 3.18Å
524	L	68.1	Low	71.8	Confident	82 Å²	82	82.3 Å²	82.3	43%	0.429	42%	0.416	S	S	.	.			trans	-68.6	119.1	172.6	-68.9	174.5	0	0	0	109	L519 S522 I526 R533	L519-L524 HydrophobicContact CD2-CD1 4Å; S522-L524 PolarHBondContact O-N 3.41Å; S522-L524 VanDerWaalsContact OG-CD1 3.29Å; S522-L524 WeakPolarHBondContact OG-CD1 3.47Å; S522-L524 WeakPolarHBondContact OG-CG 3.31Å; L524-I526 HydrophobicContact CB-CD1 4.35Å; L524-I526 HydrophobicContact CB-CG1 4.41Å; L524-I526 PolarHBondContact O-N 3.49Å; L524-R533 PolarHBondContact O-NH2 3.15Å; L524-R533 VanDerWaalsContact O-NH2 3.16Å
525	D	60.9	Low	71.8	Confident	131 Å²	131	80.9 Å²	80.9	70%	0.701	41%	0.411	S	S	*	.			trans	-87.1	56.2	-176.7	-150.1	6.4	0	0	0	111.3	D523	D523-D525 PolarHBondContact O-N 3.18Å
526	I	75.2	Confident	71.4	Confident	88 Å²	88	80.1 Å²	80.1	45%	0.451	41%	0.412	S	S	.	.			trans	-93.2	121.7	176.2	-59.1	171.8	0	0	0	107.8	L524 F528 L529 R530	L524-I526 HydrophobicContact CB-CD1 4.35Å; L524-I526 HydrophobicContact CB-CG1 4.41Å; L524-I526 PolarHBondContact O-N 3.49Å; I526-F528 HydrophobicContact CG2-CB 4.39Å; I526-F528 PolarHBondContact O-N 3.37Å; I526-F528 VanDerWaalsContact O-N 3.09Å; I526-L529 HydrophobicContact CB-CD1 4.22Å; I526-L529 HydrophobicContact CB-CG 4.4Å; I526-L529 HydrophobicContact CD1-CD1 4.17Å; I526-L529 PolarHBondContact O-N 2.88Å; I526-R530 PolarHBondContact O-N 3.44Å; I526-R530 VanDerWaalsContact O-N 3.11Å
527	A	71.3	Confident	71.2	Confident	58 Å²	58	82.5 Å²	82.5	48%	0.479	42%	0.421	S	S	.	.	H	α-helix	trans	-50.4	-40.2	-174	0	0	0	0	0	113.8	R530 D531	A527-R530 PolarHBondContact O-N 3.04Å; A527-D531 PolarHBondContact O-N 3.43Å; A527-D531 VanDerWaalsContact O-N 3.12Å
528	F	75.4	Confident	71.3	Confident	144 Å²	144	83.5 Å²	83.5	63%	0.632	43%	0.425	S	S	*	.	H	α-helix	trans	-62.6	-44.3	177.5	178.2	-106	0	0	0	113.6	I526 R530 D531 I532	I526-F528 HydrophobicContact CG2-CB 4.39Å; I526-F528 PolarHBondContact O-N 3.37Å; I526-F528 VanDerWaalsContact O-N 3.09Å; F528-R530 VanDerWaalsContact C-N 3.33Å; F528-D531 PolarHBondContact O-N 3.37Å; F528-I532 HydrophobicContact CD1-CD1 3.84Å; F528-I532 HydrophobicContact CD2-CD1 4.45Å; F528-I532 HydrophobicContact CE1-CD1 3.34Å; F528-I532 HydrophobicContact CE2-CD1 4.02Å; F528-I532 HydrophobicContact CG-CD1 4.38Å; F528-I532 HydrophobicContact CZ-CD1 3.46Å; F528-I532 VanDerWaalsContact CZ-CD1 3.46Å; F528-I532 WeakPolarHBondContact O-CG1 3.41Å; F528-I532 PolarHBondContact O-N 3.03Å
529	L	70.9	Confident	71.1	Confident	12 Å²	12	82.2 Å²	82.2	6%	0.063	42%	0.417	C	S	.	.	H	α-helix	trans	-69.6	-34.7	178.9	-66.3	175.7	0	0	0	111.1	L519 T520 I526 D531 I532 R533	L519-L529 HydrophobicContact CB-CD1 4.33Å; T520-L529 HydrophobicContact CG2-CD2 4.11Å; I526-L529 HydrophobicContact CB-CD1 4.22Å; I526-L529 HydrophobicContact CB-CG 4.4Å; I526-L529 HydrophobicContact CD1-CD1 4.17Å; I526-L529 PolarHBondContact O-N 2.88Å; L529-D531 VanDerWaalsContact C-N 3.34Å; L529-D531 PolarHBondContact O-N 3.2Å; L529-I532 PolarHBondContact O-N 2.8Å; L529-R533 WeakPolarHBondContact O-CG 3.42Å; L529-R533 PolarHBondContact O-N 3.03Å
530	R	68.8	Low	71.2	Confident	110 Å²	110	85 Å²	85	42%	0.415	43%	0.429	S	S	.	.	H	α-helix	trans	-63.4	-39.1	176.3	-171.4	178.3	68	-171.3	1	112.4	I526 A527 F528 K534	I526-R530 PolarHBondContact O-N 3.44Å; I526-R530 VanDerWaalsContact O-N 3.11Å; A527-R530 PolarHBondContact O-N 3.04Å; F528-R530 VanDerWaalsContact C-N 3.33Å; R530-K534 WeakPolarHBondContact O-CG 3.33Å; R530-K534 PolarHBondContact O-N 3.28Å
531	D	75	Confident	71.6	Confident	95 Å²	95	89.2 Å²	89.2	51%	0.508	45%	0.446	S	S	.	.	H	α-helix	trans	-72.2	-38	178	-70.1	-13.1	0	0	0	111.4	A527 F528 L529 R533 K534 T535	A527-D531 PolarHBondContact O-N 3.43Å; A527-D531 VanDerWaalsContact O-N 3.12Å; F528-D531 PolarHBondContact O-N 3.37Å; L529-D531 VanDerWaalsContact C-N 3.34Å; L529-D531 PolarHBondContact O-N 3.2Å; D531-R533 PolarHBondContact O-N 2.98Å; D531-K534 PolarHBondContact O-N 2.88Å; D531-T535 PolarHBondContact O-N 3.42Å
532	I	74.4	Confident	71.8	Confident	48 Å²	48	87.9 Å²	87.9	25%	0.246	44%	0.44	C	S	.	.	H	α-helix	trans	-61.9	-43.1	173.4	-68.8	170.4	0	0	0	111.4	F528 L529 K534 T535 F538	F528-I532 HydrophobicContact CD1-CD1 3.84Å; F528-I532 HydrophobicContact CD2-CD1 4.45Å; F528-I532 HydrophobicContact CE1-CD1 3.34Å; F528-I532 HydrophobicContact CE2-CD1 4.02Å; F528-I532 HydrophobicContact CG-CD1 4.38Å; F528-I532 HydrophobicContact CZ-CD1 3.46Å; F528-I532 VanDerWaalsContact CZ-CD1 3.46Å; F528-I532 WeakPolarHBondContact O-CG1 3.41Å; F528-I532 PolarHBondContact O-N 3.03Å; L529-I532 PolarHBondContact O-N 2.8Å; I532-K534 PolarHBondContact O-N 3.5Å; I532-K534 VanDerWaalsContact O-N 3.14Å; I532-T535 PolarHBondContact O-N 3.11Å; I532-T535 VanDerWaalsContact O-N 3.11Å; I532-T535 PolarHBondContact O-OG1 3.44Å; I532-F538 HydrophobicContact CG2-CD2 4.05Å; I532-F538 HydrophobicContact CG2-CG 4.29Å; I532-F538 WeakPolarHBondContact O-CB 3.41Å
533	R	73.9	Confident	72.1	Confident	68 Å²	68	93.8 Å²	93.8	26%	0.257	46%	0.462	S	S	.	.	H	α-helix	trans	-59.9	-23.8	177	-72.3	178.4	-155.1	142	11.1	113.7	T520 S522 L524 L529 D531 F538 Q539	T520-R533 PolarHBondContact O-NE 3.35Å; S522-R533 PolarHBondContact O-NH2 2.88Å; L524-R533 PolarHBondContact O-NH2 3.15Å; L524-R533 VanDerWaalsContact O-NH2 3.16Å; L529-R533 WeakPolarHBondContact O-CG 3.42Å; L529-R533 PolarHBondContact O-N 3.03Å; D531-R533 PolarHBondContact O-N 2.98Å; R533-F538 HydrophobicContact CG-CE1 4.28Å; R533-Q539 PolarHBondContact O-NE2 3.24Å
534	K	73.1	Confident	72.5	Confident	139 Å²	139	90.6 Å²	90.6	60%	0.604	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-7.6	-179.5	-69.7	177.8	-179	-179.3	0	113.6	R530 D531 I532	R530-K534 WeakPolarHBondContact O-CG 3.33Å; R530-K534 PolarHBondContact O-N 3.28Å; D531-K534 PolarHBondContact O-N 2.88Å; I532-K534 PolarHBondContact O-N 3.5Å; I532-K534 VanDerWaalsContact O-N 3.14Å
535	T	78.6	Confident	72.6	Confident	52 Å²	52	92.6 Å²	92.6	32%	0.319	44%	0.444	S	S	.	.	S	Bend	trans	-69.9	133.5	176.1	58.9	0	0	0	0	110.6	D531 I532 E537 F538 Q539	D531-T535 PolarHBondContact O-N 3.42Å; I532-T535 PolarHBondContact O-N 3.11Å; I532-T535 VanDerWaalsContact O-N 3.11Å; I532-T535 PolarHBondContact O-OG1 3.44Å; T535-E537 WeakPolarHBondContact CB-OE2 3.48Å; T535-E537 PolarHBondContact O-N 3.32Å; T535-F538 PolarHBondContact O-N 3.3Å; T535-F538 VanDerWaalsContact O-N 3.15Å; T535-F538 VanDerWaalsContact OG1-CB 3.23Å; T535-F538 WeakPolarHBondContact OG1-CB 3.29Å; T535-Q539 PolarHBondContact O-N 3.12Å; T535-Q539 VanDerWaalsContact O-N 3.13Å
536	P	69.5	Low	73	Confident	88 Å²	88	87.7 Å²	87.7	57%	0.571	42%	0.417	S	S	*	.	H	α-helix	trans	-62	-28.9	-178.4	23.2	-31.5	0	0	0	112.2	Q540	P536-Q540 WeakPolarHBondContact O-CB 3.31Å; P536-Q540 PolarHBondContact O-N 3.37Å
537	E	73.4	Confident	72.8	Confident	133 Å²	133	85.1 Å²	85.1	62%	0.621	41%	0.406	S	S	*	.	H	α-helix	trans	-67.2	-40.7	176.1	-58	80.3	-175.3	0	0	112.1	T535 F541	T535-E537 WeakPolarHBondContact CB-OE2 3.48Å; T535-E537 PolarHBondContact O-N 3.32Å; E537-F541 WeakPolarHBondContact O-CB 3.36Å; E537-F541 PolarHBondContact O-N 2.9Å
538	F	74.3	Confident	73	Confident	42 Å²	42	85.6 Å²	85.6	18%	0.184	40%	0.404	C	S	.	.	H	α-helix	trans	-70.3	-41.8	177.3	-176.6	-94.2	0	0	0	111.5	T520 I532 R533 T535 Q540 F541 H542	T520-F538 HydrophobicContact CG2-CE2 4.03Å; T520-F538 HydrophobicContact CG2-CZ 3.99Å; T520-F538 WeakPolarHBondContact OG1-CZ 3.46Å; I532-F538 HydrophobicContact CG2-CD2 4.05Å; I532-F538 HydrophobicContact CG2-CG 4.29Å; I532-F538 WeakPolarHBondContact O-CB 3.41Å; R533-F538 HydrophobicContact CG-CE1 4.28Å; T535-F538 PolarHBondContact O-N 3.3Å; T535-F538 VanDerWaalsContact O-N 3.15Å; T535-F538 VanDerWaalsContact OG1-CB 3.23Å; T535-F538 WeakPolarHBondContact OG1-CB 3.29Å; F538-Q540 PolarHBondContact O-N 3.22Å; F538-F541 PolarHBondContact O-N 3.22Å; F538-H542 HydrophobicContact CE1-CB 4.42Å; F538-H542 WeakPolarHBondContact O-CB 3.44Å; F538-H542 PolarHBondContact O-N 2.95Å
539	Q	71.1	Confident	72.7	Confident	99 Å²	99	82.8 Å²	82.8	46%	0.463	40%	0.395	S	S	.	.	H	α-helix	trans	-62.7	-42.7	177	-70.8	-174.4	-13.9	0	0	111.9	R533 T535 H542 F543	R533-Q539 PolarHBondContact O-NE2 3.24Å; T535-Q539 PolarHBondContact O-N 3.12Å; T535-Q539 VanDerWaalsContact O-N 3.13Å; Q539-H542 PolarHBondContact O-N 3.26Å; Q539-F543 WeakPolarHBondContact O-CD2 3.27Å; Q539-F543 PolarHBondContact O-N 2.85Å
540	Q	75.6	Confident	72.7	Confident	122 Å²	122	89 Å²	89	57%	0.57	42%	0.418	S	S	*	.	H	α-helix	trans	-62.7	-48.4	175.6	-173.3	176.2	-5.6	0	0	111.2	P536 F538 H542 F543 E544	P536-Q540 WeakPolarHBondContact O-CB 3.31Å; P536-Q540 PolarHBondContact O-N 3.37Å; F538-Q540 PolarHBondContact O-N 3.22Å; Q540-H542 VanDerWaalsContact C-N 3.32Å; Q540-H542 PolarHBondContact O-N 3.45Å; Q540-F543 PolarHBondContact O-N 2.88Å; Q540-E544 WeakPolarHBondContact CG-OE2 3.37Å; Q540-E544 PolarHBondContact NE2-OE2 3.38Å; Q540-E544 WeakPolarHBondContact O-CB 3.47Å; Q540-E544 PolarHBondContact O-N 3.35Å
541	F	75.1	Confident	72.9	Confident	94 Å²	94	92.8 Å²	92.8	41%	0.412	43%	0.432	S	S	.	.	H	α-helix	trans	-59.4	-42.5	177.5	177.8	-98.9	0	0	0	112.6	E537 F538 Y545 F546	E537-F541 WeakPolarHBondContact O-CB 3.36Å; E537-F541 PolarHBondContact O-N 2.9Å; F538-F541 PolarHBondContact O-N 3.22Å; F541-Y545 HydrophobicContact CD2-CD2 4.01Å; F541-Y545 PolarHBondContact O-N 3.03Å; F541-Y545 VanDerWaalsContact O-N 3.09Å; F541-F546 PolarHBondContact O-N 3.09Å
542	H	71.8	Confident	72.9	Confident	40 Å²	40	94.6 Å²	94.6	19%	0.185	43%	0.432	C	S	.	.	I	π-helix	trans	-65.4	-45.1	-178.2	-171.4	75.8	0	0	0	112.1	E521 F538 Q539 Q540 F546 C547	E521-H542 IonicContact OE1-CE1 3.04Å; E521-H542 PolarHBondContact OE1-CE1 3Å; E521-H542 IonicContact OE1-NE2 2.68Å; F538-H542 HydrophobicContact CE1-CB 4.42Å; F538-H542 WeakPolarHBondContact O-CB 3.44Å; F538-H542 PolarHBondContact O-N 2.95Å; Q539-H542 PolarHBondContact O-N 3.26Å; Q540-H542 VanDerWaalsContact C-N 3.32Å; Q540-H542 PolarHBondContact O-N 3.45Å; H542-F546 AromaticContact CE1-CD1 3.54Å; H542-F546 AromaticContact ND1-CD1 3.54Å; H542-F546 WeakPolarHBondContact O-CB 3.33Å; H542-F546 PolarHBondContact O-N 3.38Å; H542-C547 PolarHBondContact O-N 3.21Å
543	F	74.6	Confident	72.7	Confident	158 Å²	158	97.3 Å²	97.3	69%	0.693	44%	0.442	S	S	*	.	I	π-helix	trans	-75.4	-40.4	179.1	-87.2	-79.5	0	0	0	113.6	Q539 Q540 P548	Q539-F543 WeakPolarHBondContact O-CD2 3.27Å; Q539-F543 PolarHBondContact O-N 2.85Å; Q540-F543 PolarHBondContact O-N 2.88Å; F543-P548 WeakPolarHBondContact O-CD 3.37Å
544	E	72.8	Confident	72.6	Confident	100 Å²	100	96.9 Å²	96.9	47%	0.467	45%	0.453	S	S	.	.	I	π-helix	trans	-81.6	-32.2	-170.6	-164.4	169.3	-174.1	0	0	112.6	Q540	Q540-E544 WeakPolarHBondContact CG-OE2 3.37Å; Q540-E544 PolarHBondContact NE2-OE2 3.38Å; Q540-E544 WeakPolarHBondContact O-CB 3.47Å; Q540-E544 PolarHBondContact O-N 3.35Å
545	Y	69.1	Low	72.6	Confident	123 Å²	123	94.4 Å²	94.4	48%	0.482	45%	0.453	S	S	.	.	I	π-helix	trans	-121	-44.2	-174.3	-60	-79.5	0	0	0	113.4	F541 L549	F541-Y545 HydrophobicContact CD2-CD2 4.01Å; F541-Y545 PolarHBondContact O-N 3.03Å; F541-Y545 VanDerWaalsContact O-N 3.09Å; Y545-L549 WeakPolarHBondContact O-CB 3.48Å; Y545-L549 PolarHBondContact O-N 2.92Å
546	F	69.7	Low	72.3	Confident	29 Å²	29	96.5 Å²	96.5	13%	0.127	46%	0.457	C	S	.	.	I	π-helix	trans	-76.9	-48.1	-172.1	-172.8	-102.9	0	0	0	113.5	I517 E521 F541 H542 L549 R550	I517-F546 HydrophobicContact CD1-CD2 4.38Å; I517-F546 HydrophobicContact CD1-CE2 4.34Å; I517-F546 HydrophobicContact CG2-CD2 3.96Å; I517-F546 HydrophobicContact CG2-CE1 4.01Å; I517-F546 HydrophobicContact CG2-CE2 3.34Å; I517-F546 HydrophobicContact CG2-CZ 3.34Å; E521-F546 HydrophobicContact CG-CE1 4.37Å; E521-F546 WeakPolarHBondContact OE1-CE1 3.31Å; F541-F546 PolarHBondContact O-N 3.09Å; H542-F546 AromaticContact CE1-CD1 3.54Å; H542-F546 AromaticContact ND1-CD1 3.54Å; H542-F546 WeakPolarHBondContact O-CB 3.33Å; H542-F546 PolarHBondContact O-N 3.38Å; F546-L549 PolarHBondContact O-N 3.47Å; F546-L549 VanDerWaalsContact O-N 3.14Å; F546-R550 WeakPolarHBondContact O-CB 3.22Å; F546-R550 PolarHBondContact O-N 2.92Å
547	C	71.6	Confident	72.3	Confident	34 Å²	34	98 Å²	98	23%	0.23	46%	0.46	C	S	.	.	H	α-helix	trans	-56.4	-45.9	177.3	-82.8	0	0	0	0	113.4	H542 R551	H542-C547 PolarHBondContact O-N 3.21Å; C547-R551 WeakPolarHBondContact O-CG 3.36Å; C547-R551 PolarHBondContact O-N 3.32Å; C547-R551 VanDerWaalsContact O-N 3.09Å
548	P	75	Confident	72	Confident	67 Å²	67	101.8 Å²	101.8	44%	0.435	47%	0.468	S	S	.	.	H	α-helix	trans	-62.9	-41.1	173.3	-24.5	35	0	0	0	112.9	F543 R551 W552	F543-P548 WeakPolarHBondContact O-CD 3.37Å; P548-R551 PolarHBondContact O-N 3.44Å; P548-W552 WeakPolarHBondContact O-CB 3.31Å; P548-W552 PolarHBondContact O-N 2.91Å
549	L	68.9	Low	71.6	Confident	86 Å²	86	108.4 Å²	108.4	45%	0.45	49%	0.492	S	S	.	.	H	α-helix	trans	-65.4	-42.7	179.3	-169	71.6	0	0	0	111.6	Y545 F546 W552 F553	Y545-L549 WeakPolarHBondContact O-CB 3.48Å; Y545-L549 PolarHBondContact O-N 2.92Å; F546-L549 PolarHBondContact O-N 3.47Å; F546-L549 VanDerWaalsContact O-N 3.14Å; L549-W552 WeakPolarHBondContact O-CB 3.27Å; L549-W552 PolarHBondContact O-N 2.94Å; L549-F553 HydrophobicContact CD1-CD2 4.27Å; L549-F553 HydrophobicContact CD1-CE2 3.89Å; L549-F553 HydrophobicContact CD2-CE2 4.16Å; L549-F553 HydrophobicContact CG-CD2 3.87Å; L549-F553 HydrophobicContact CG-CE2 3.74Å; L549-F553 VanDerWaalsContact O-CD2 3.27Å; L549-F553 WeakPolarHBondContact O-CD2 3.36Å; L549-F553 PolarHBondContact O-N 3.47Å
550	R	70.6	Confident	71.2	Confident	143 Å²	143	108.7 Å²	108.7	54%	0.54	50%	0.495	S	S	.	.	H	α-helix	trans	-61.4	-44.3	174.9	-179	177.7	168.9	-177.7	-2	111.7	E521 F546 W552 F553 A554	E521-R550 VanDerWaalsContact CD-NH1 3.34Å; E521-R550 IonicContact OE1-NH1 3.77Å; E521-R550 PolarHBondContact OE1-NH1 3.09Å; E521-R550 IonicContact OE2-CZ 3.43Å; E521-R550 IonicContact OE2-NH1 3.76Å; E521-R550 PolarHBondContact OE2-NH1 2.68Å; F546-R550 WeakPolarHBondContact O-CB 3.22Å; F546-R550 PolarHBondContact O-N 2.92Å; R550-W552 VanDerWaalsContact C-N 3.34Å; R550-F553 PolarHBondContact O-N 3.49Å; R550-A554 WeakPolarHBondContact O-CB 3.41Å; R550-A554 PolarHBondContact O-N 2.93Å
551	R	72.8	Confident	70.5	Confident	188 Å²	188	104.6 Å²	104.6	71%	0.709	49%	0.485	S	S	*	.	H	α-helix	trans	-62.1	-42.2	174.2	-73.5	177.3	-178.1	178.2	1.6	111.4	C547 P548 A554 C555	C547-R551 WeakPolarHBondContact O-CG 3.36Å; C547-R551 PolarHBondContact O-N 3.32Å; C547-R551 VanDerWaalsContact O-N 3.09Å; P548-R551 PolarHBondContact O-N 3.44Å; R551-A554 PolarHBondContact O-N 3Å; R551-C555 WeakPolarHBondContact O-CB 3.25Å; R551-C555 PolarHBondContact O-N 2.95Å; R551-C555 PolarHBondContact O-SG 3.41Å
552	W	75.5	Confident	69.6	Low	133 Å²	133	102.3 Å²	102.3	50%	0.504	49%	0.488	S	S	.	.	H	α-helix	trans	-62.7	-46.1	176.4	-175.7	87.3	0	0	0	112	P548 L549 R550 C555 K556	P548-W552 WeakPolarHBondContact O-CB 3.31Å; P548-W552 PolarHBondContact O-N 2.91Å; L549-W552 WeakPolarHBondContact O-CB 3.27Å; L549-W552 PolarHBondContact O-N 2.94Å; R550-W552 VanDerWaalsContact C-N 3.34Å; W552-C555 PolarHBondContact O-N 2.83Å; W552-K556 HydrophobicContact CH2-CD 3.7Å; W552-K556 HydrophobicContact CZ2-CD 3.97Å; W552-K556 HydrophobicContact CZ3-CD 4.07Å; W552-K556 WeakPolarHBondContact O-CB 3.42Å; W552-K556 PolarHBondContact O-N 3.22Å
553	F	70.6	Confident	68.8	Low	106 Å²	106	108.4 Å²	108.4	47%	0.465	51%	0.514	S	S	.	.	H	α-helix	trans	-63.1	-42.2	175.5	-87.7	-71.8	0	0	0	112.6	L549 R550 C555 K556 L557	L549-F553 HydrophobicContact CD1-CD2 4.27Å; L549-F553 HydrophobicContact CD1-CE2 3.89Å; L549-F553 HydrophobicContact CD2-CE2 4.16Å; L549-F553 HydrophobicContact CG-CD2 3.87Å; L549-F553 HydrophobicContact CG-CE2 3.74Å; L549-F553 VanDerWaalsContact O-CD2 3.27Å; L549-F553 WeakPolarHBondContact O-CD2 3.36Å; L549-F553 PolarHBondContact O-N 3.47Å; R550-F553 PolarHBondContact O-N 3.49Å; F553-C555 PolarHBondContact O-N 3.4Å; F553-K556 PolarHBondContact O-N 2.91Å; F553-L557 WeakPolarHBondContact O-CB 3.49Å; F553-L557 PolarHBondContact O-N 3.35Å
554	A	72.2	Confident	67.7	Low	59 Å²	59	107.9 Å²	107.9	49%	0.488	52%	0.518	S	S	.	.	H	α-helix	trans	-62.3	-42.2	176.3	0	0	0	0	0	111.8	R550 R551 R558	R550-A554 WeakPolarHBondContact O-CB 3.41Å; R550-A554 PolarHBondContact O-N 2.93Å; R551-A554 PolarHBondContact O-N 3Å; A554-R558 VanDerWaalsContact O-CB 3.25Å; A554-R558 WeakPolarHBondContact O-CB 3.43Å; A554-R558 PolarHBondContact O-N 3.28Å
555	C	71.6	Confident	66.8	Low	87 Å²	87	109.5 Å²	109.5	59%	0.588	53%	0.534	S	S	*	.	H	α-helix	trans	-64	-40.4	173.8	-72.1	0	0	0	0	112	R551 W552 F553 R558 W559	R551-C555 WeakPolarHBondContact O-CB 3.25Å; R551-C555 PolarHBondContact O-N 2.95Å; R551-C555 PolarHBondContact O-SG 3.41Å; W552-C555 PolarHBondContact O-N 2.83Å; F553-C555 PolarHBondContact O-N 3.4Å; C555-R558 PolarHBondContact O-N 3.46Å; C555-W559 WeakPolarHBondContact O-CB 3.37Å; C555-W559 PolarHBondContact O-N 2.92Å
556	K	73.3	Confident	65.8	Low	95 Å²	95	108.6 Å²	108.6	41%	0.413	55%	0.546	S	S	.	.	H	α-helix	trans	-72	-39.7	-179.3	-139.8	-164.7	-170.4	-165.6	0	112.8	W552 F553 W559 M560	W552-K556 HydrophobicContact CH2-CD 3.7Å; W552-K556 HydrophobicContact CZ2-CD 3.97Å; W552-K556 HydrophobicContact CZ3-CD 4.07Å; W552-K556 WeakPolarHBondContact O-CB 3.42Å; W552-K556 PolarHBondContact O-N 3.22Å; F553-K556 PolarHBondContact O-N 2.91Å; K556-W559 PolarHBondContact O-N 3.33Å; K556-M560 WeakPolarHBondContact O-CB 3.44Å; K556-M560 WeakPolarHBondContact O-CG 3.37Å; K556-M560 PolarHBondContact O-N 2.88Å
557	L	69.3	Low	64.5	Low	119 Å²	119	119.8 Å²	119.8	62%	0.623	60%	0.595	S	S	*	*	H	α-helix	trans	-64.7	-39.2	173	-89.8	157.1	0	0	0	111.4	F553 M560 G561	F553-L557 WeakPolarHBondContact O-CB 3.49Å; F553-L557 PolarHBondContact O-N 3.35Å; L557-M560 PolarHBondContact O-N 3.2Å; L557-G561 PolarHBondContact O-N 3.02Å
558	R	67.3	Low	64.2	Low	214 Å²	214	124.1 Å²	124.1	81%	0.808	61%	0.613	S	S	*	*	H	α-helix	trans	-67	-36.8	174.1	-172.2	174.7	166.9	-173.1	-4.2	112.2	A554 C555 G562	A554-R558 VanDerWaalsContact O-CB 3.25Å; A554-R558 WeakPolarHBondContact O-CB 3.43Å; A554-R558 PolarHBondContact O-N 3.28Å; C555-R558 PolarHBondContact O-N 3.46Å; R558-G562 PolarHBondContact O-N 2.8Å
559	W	66.3	Low	63.6	Low	181 Å²	181	127.1 Å²	127.1	69%	0.686	62%	0.623	S	S	*	*	H	α-helix	trans	-67.4	-42	173.5	-177.1	72.8	0	0	0	112.4	C555 K556 G562	C555-W559 WeakPolarHBondContact O-CB 3.37Å; C555-W559 PolarHBondContact O-N 2.92Å; K556-W559 PolarHBondContact O-N 3.33Å; W559-G562 PolarHBondContact O-N 3.49Å
560	M	62.5	Low	63.3	Low	105 Å²	105	129.4 Å²	129.4	52%	0.517	63%	0.632	S	S	.	*	H	α-helix	trans	-70	-36.9	174.9	-72.6	179.5	58.7	0	0	112.9	K556 L557 F563 L564	K556-M560 WeakPolarHBondContact O-CB 3.44Å; K556-M560 WeakPolarHBondContact O-CG 3.37Å; K556-M560 PolarHBondContact O-N 2.88Å; L557-M560 PolarHBondContact O-N 3.2Å; M560-F563 WeakPolarHBondContact O-CB 3.45Å; M560-F563 PolarHBondContact O-N 3.5Å; M560-L564 PolarHBondContact O-N 3.43Å
561	G	59.3	Low	62.9	Low	35 Å²	35	128.6 Å²	128.6	36%	0.361	64%	0.638	S	S	.	*	H	α-helix	trans	-67	-33.9	174.9	0	0	0	0	0	113	L557 F563 L564 V565	L557-G561 PolarHBondContact O-N 3.02Å; G561-F563 PolarHBondContact O-N 3.33Å; G561-L564 PolarHBondContact O-N 3.16Å; G561-L564 VanDerWaalsContact O-N 3.16Å; G561-V565 PolarHBondContact O-N 3.3Å
562	G	57.2	Low	62.2	Low	47 Å²	47	124.9 Å²	124.9	49%	0.485	63%	0.633	S	S	.	*	H	α-helix	trans	-63.1	-25.3	171.7	0	0	0	0	0	113.7	R558 W559	R558-G562 PolarHBondContact O-N 2.8Å; W559-G562 PolarHBondContact O-N 3.49Å
563	F	53.8	Low	61.3	Low	167 Å²	167	124.3 Å²	124.3	73%	0.732	64%	0.642	S	S	*	*	H	α-helix	trans	-81.1	-19.8	176.2	-131.1	-90.3	0	0	0	113.4	M560 G561	M560-F563 WeakPolarHBondContact O-CB 3.45Å; M560-F563 PolarHBondContact O-N 3.5Å; G561-F563 PolarHBondContact O-N 3.33Å
564	L	51.6	Low	60.7	Low	148 Å²	148	125.6 Å²	125.6	78%	0.775	65%	0.654	S	S	*	*	H	α-helix	trans	-92.1	-14.4	178.2	-102	127.4	0	0	0	113.8	M560 G561	M560-L564 PolarHBondContact O-N 3.43Å; G561-L564 PolarHBondContact O-N 3.16Å; G561-L564 VanDerWaalsContact O-N 3.16Å
565	V	53.8	Low	59.8	Low	133 Å²	133	130.8 Å²	130.8	81%	0.806	67%	0.667	S	S	*	*	S	Bend	trans	-97.5	-5.8	177.2	176.7	0	0	0	0	112.2	G561	G561-V565 PolarHBondContact O-N 3.3Å
566	S	49.1	Very low	58.8	Low	105 Å²	105	134.4 Å²	134.4	73%	0.734	67%	0.674	S	S	*	*			trans	-111.4	41.2	178.7	-166.8	0	0	0	0	113.1
567	K	42.5	Very low	57.5	Low	264 Å²	264	138 Å²	138	100%	1.148	70%	0.698	S	S	*	*			trans	-135.7	0	166.5	-146.5	178.7	-171.5	179.7	0	111.9

Retrieved 567 of 567 residues in 473.4 ms (Link to these results)

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